(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide

C15H23ClN2O4S — CID 24538514

IUPAC(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCNC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)14(15(19)17-8-5-9-22-3)18-23(20,21)13-7-4-6-12(16)10-13/h4,6-7,10-11,14,18H,5,8-9H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeySWBPZPLFPFUVKD-AWEZNQCLSA-N
MW362.88 g/mol
LogP1.80
Rot. Bonds9

About (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide

(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide (PubChem CID 24538514) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
PubChem CID24538514
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCNC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)14(15(19)17-8-5-9-22-3)18-23(20,21)13-7-4-6-12(16)10-13/h4,6-7,10-11,14,18H,5,8-9H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeySWBPZPLFPFUVKD-AWEZNQCLSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
(2S)-2-(benzenesulfonamido)-3-methyl-N-[3-(1-phenylethoxy)propyl]butanamide
CID 24678074
[2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848963
benzyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573393
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573425
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848980
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 26003755
[(1S)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573426
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide (CID 24538514) is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide is COCCCNC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide?
The InChIKey is SWBPZPLFPFUVKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-11(2)14(15(19)17-8-5-9-22-3)18-23(20,21)13-7-4-6-12(16)10-13/h4,6-7,10-11,14,18H,5,8-9H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide?
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide has a molecular weight of 362.88 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide is sourced from PubChem (CID 24538514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).