N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride

C16H25ClN4O4S — CID 119492990

IUPACN-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)C1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-11(21)18-12-6-7-15(19-25(3,23)24)14(9-12)16(22)20-8-4-5-13(10-20)17-2;/h6-7,9,13,17,19H,4-5,8,10H2,1-3H3,(H,18,21);1H
InChIKeyYXPBCLLVLNUKMO-UHFFFAOYSA-N
MW404.92 g/mol
LogP1.26
Rot. Bonds5

About N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride

N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (PubChem CID 119492990) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
PubChem CID119492990
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC NameN-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)C1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-11(21)18-12-6-7-15(19-25(3,23)24)14(9-12)16(22)20-8-4-5-13(10-20)17-2;/h6-7,9,13,17,19H,4-5,8,10H2,1-3H3,(H,18,21);1H
InChIKeyYXPBCLLVLNUKMO-UHFFFAOYSA-N
XLogP1.26
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56513710
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119395231
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 119395232
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (CID 119492990) is N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride is CNC1CCCN(C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)C1.Cl.
What is the InChIKey of N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The InChIKey is YXPBCLLVLNUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-11(21)18-12-6-7-15(19-25(3,23)24)14(9-12)16(22)20-8-4-5-13(10-20)17-2;/h6-7,9,13,17,19H,4-5,8,10H2,1-3H3,(H,18,21);1H.
What are the key properties of N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).