N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide

C16H24N4O4S — CID 55511040

IUPACN-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H24N4O4S/c1-11(15(21)19-16(22)18-12-5-3-4-6-12)17-13-7-9-14(10-8-13)20-25(2,23)24/h7-12,17,20H,3-6H2,1-2H3,(H2,18,19,21,22)
InChIKeyULZFSIXTXVQSDH-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.63
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide

N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide (PubChem CID 55511040) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
PubChem CID55511040
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H24N4O4S/c1-11(15(21)19-16(22)18-12-5-3-4-6-12)17-13-7-9-14(10-8-13)20-25(2,23)24/h7-12,17,20H,3-6H2,1-2H3,(H2,18,19,21,22)
InChIKeyULZFSIXTXVQSDH-UHFFFAOYSA-N
XLogP1.63
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
CID 108875238
N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 55432296
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268710
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide (CID 55511040) is N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide is CC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The InChIKey is ULZFSIXTXVQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11(15(21)19-16(22)18-12-5-3-4-6-12)17-13-7-9-14(10-8-13)20-25(2,23)24/h7-12,17,20H,3-6H2,1-2H3,(H2,18,19,21,22).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide?
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 55511040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).