ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate

C26H27N3O5S — CID 16566650

IUPACethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O5S/c1-3-34-26(32)27-20-11-9-19(10-12-20)23(30)28-24-21(25(31)29-13-15-33-16-14-29)17(2)22(35-24)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyUSMXYQKUNWQDHR-UHFFFAOYSA-N
MW493.59 g/mol
LogP5.02
Rot. Bonds6

About ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate (PubChem CID 16566650) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
PubChem CID16566650
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Nameethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O5S/c1-3-34-26(32)27-20-11-9-19(10-12-20)23(30)28-24-21(25(31)29-13-15-33-16-14-29)17(2)22(35-24)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyUSMXYQKUNWQDHR-UHFFFAOYSA-N
XLogP5.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
CID 31287590
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
CID 30972009
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848
2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26596817

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate (CID 16566650) is ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate?
The InChIKey is USMXYQKUNWQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-3-34-26(32)27-20-11-9-19(10-12-20)23(30)28-24-21(25(31)29-13-15-33-16-14-29)17(2)22(35-24)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate has a molecular weight of 493.59 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 16566650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).