methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate

C20H24N4O5S — CID 71806969

IUPACmethyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-29-20(26)23-17-4-6-18(7-5-17)30(27,28)22-13-15-8-11-24(12-9-15)19(25)16-3-2-10-21-14-16/h2-7,10,14-15,22H,8-9,11-13H2,1H3,(H,23,26)
InChIKeyNTDWHQCWSVNQPW-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.09
Rot. Bonds6

About methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate

methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate (PubChem CID 71806969) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate
PubChem CID71806969
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Namemethyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-29-20(26)23-17-4-6-18(7-5-17)30(27,28)22-13-15-8-11-24(12-9-15)19(25)16-3-2-10-21-14-16/h2-7,10,14-15,22H,8-9,11-13H2,1H3,(H,23,26)
InChIKeyNTDWHQCWSVNQPW-UHFFFAOYSA-N
XLogP2.09
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
4-methoxy-N-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42527977
2,4-dimethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521198
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
2-(4-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 71786405
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate (CID 71806969) is methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate?
The InChIKey is NTDWHQCWSVNQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-29-20(26)23-17-4-6-18(7-5-17)30(27,28)22-13-15-8-11-24(12-9-15)19(25)16-3-2-10-21-14-16/h2-7,10,14-15,22H,8-9,11-13H2,1H3,(H,23,26).
What are the key properties of methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate?
methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate has a molecular weight of 432.50 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 71806969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).