N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C16H23N3O4S — CID 94117942

IUPACN-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O4S/c1-11(17-16(21)12-5-3-4-6-12)15(20)18-13-7-9-14(10-8-13)19-24(2,22)23/h7-12,19H,3-6H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyKIPLCZUOUKWDEU-NSHDSACASA-N
MW353.44 g/mol
LogP1.69
Rot. Bonds6

About N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 94117942) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID94117942
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O4S/c1-11(17-16(21)12-5-3-4-6-12)15(20)18-13-7-9-14(10-8-13)19-24(2,22)23/h7-12,19H,3-6H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyKIPLCZUOUKWDEU-NSHDSACASA-N
XLogP1.69
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
CID 108875238
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
CID 75462890
1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 3716973
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97195810

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 94117942) is N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is KIPLCZUOUKWDEU-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11(17-16(21)12-5-3-4-6-12)15(20)18-13-7-9-14(10-8-13)19-24(2,22)23/h7-12,19H,3-6H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 94117942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).