benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide

C124H122N10O14S2 — CID 159254397

IUPACbenzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide
SMILESC.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C30H31N3O4.C30H32N2O5S.C22H25N3O2.C22H26N2O3S.C19H4.CH4/c1-2-31-28(34)32-24-14-12-23(13-15-24)26-20-30(37-27-11-7-6-10-25(26)27)16-18-33(19-17-30)29(35)36-21-22-8-4-3-5-9-22;1-22(2)38(34,35)31-25-14-12-24(13-15-25)27-20-30(37-28-11-7-6-10-26(27)28)16-18-32(19-17-30)29(33)36-21-23-8-4-3-5-9-23;1-2-24-21(26)25-17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)27-20-6-4-3-5-18(19)20;1-16(2)28(25,26)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)27-21-6-4-3-5-19(20)21;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-15,20H,2,16-19,21H2,1H3,(H2,31,32,34);3-15,20,22,31H,16-19,21H2,1-2H3;3-10,15,23H,2,11-14H2,1H3,(H2,24,25,26);3-10,15-16,23-24H,11-14H2,1-2H3;1-2H2;1H4
InChIKeyKVRYTUKRQYUDJW-UHFFFAOYSA-N
MW2040.53 g/mol
LogP23.29
Rot. Bonds18

About benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide

benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide (PubChem CID 159254397) has the molecular formula C124H122N10O14S2 and a molecular weight of 2040.53 g/mol. Its IUPAC name is benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Namebenzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide
PubChem CID159254397
Molecular FormulaC124H122N10O14S2
Molecular Weight2040.53 g/mol
Exact Mass2038.86
IUPAC Namebenzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide
SMILESC.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C30H31N3O4.C30H32N2O5S.C22H25N3O2.C22H26N2O3S.C19H4.CH4/c1-2-31-28(34)32-24-14-12-23(13-15-24)26-20-30(37-27-11-7-6-10-25(26)27)16-18-33(19-17-30)29(35)36-21-22-8-4-3-5-9-22;1-22(2)38(34,35)31-25-14-12-24(13-15-25)27-20-30(37-28-11-7-6-10-26(27)28)16-18-32(19-17-30)29(33)36-21-23-8-4-3-5-9-23;1-2-24-21(26)25-17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)27-20-6-4-3-5-18(19)20;1-16(2)28(25,26)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)27-21-6-4-3-5-19(20)21;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-15,20H,2,16-19,21H2,1H3,(H2,31,32,34);3-15,20,22,31H,16-19,21H2,1-2H3;3-10,15,23H,2,11-14H2,1H3,(H2,24,25,26);3-10,15-16,23-24H,11-14H2,1-2H3;1-2H2;1H4
InChIKeyKVRYTUKRQYUDJW-UHFFFAOYSA-N
XLogP23.29
TPSA294.66 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.53
LogP ≤ 523.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide?
The IUPAC name of benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide (CID 159254397) is benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide.
What is the SMILES notation for benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide?
The canonical SMILES for benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide is C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CC(C)S(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Oc3ccccc32)cc1.CCNC(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide?
The InChIKey is KVRYTUKRQYUDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4.C30H32N2O5S.C22H25N3O2.C22H26N2O3S.C19H4.CH4/c1-2-31-28(34)32-24-14-12-23(13-15-24)26-20-30(37-27-11-7-6-10-25(26)27)16-18-33(19-17-30)29(35)36-21-22-8-4-3-5-9-22;1-22(2)38(34,35)31-25-14-12-24(13-15-25)27-20-30(37-28-11-7-6-10-26(27)28)16-18-32(19-17-30)29(33)36-21-23-8-4-3-5-9-23;1-2-24-21(26)25-17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)27-20-6-4-3-5-18(19)20;1-16(2)28(25,26)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)27-21-6-4-3-5-19(20)21;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-15,20H,2,16-19,21H2,1H3,(H2,31,32,34);3-15,20,22,31H,16-19,21H2,1-2H3;3-10,15,23H,2,11-14H2,1H3,(H2,24,25,26);3-10,15-16,23-24H,11-14H2,1-2H3;1-2H2;1H4.
What are the key properties of benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide?
benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide has a molecular weight of 2040.53 g/mol, XLogP of 23.29, 18 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(ethylcarbamoylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propan-2-ylsulfonylamino)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;1-ethyl-3-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)urea;methane;nonadeca-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecaene;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 159254397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).