(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide

C16H19ClN2O3S2 — CID 24537811

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C16H19ClN2O3S2/c1-11(2)15(16(20)18-10-13-4-3-9-23-13)19-24(21,22)14-7-5-12(17)6-8-14/h3-9,11,15,19H,10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyCKBWBDUSXUTREH-HNNXBMFYSA-N
MW386.93 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 24537811) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID24537811
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C16H19ClN2O3S2/c1-11(2)15(16(20)18-10-13-4-3-9-23-13)19-24(21,22)14-7-5-12(17)6-8-14/h3-9,11,15,19H,10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyCKBWBDUSXUTREH-HNNXBMFYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 27770091
2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 42907952
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 24523959
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394130
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954782
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 24537811) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is CKBWBDUSXUTREH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-11(2)15(16(20)18-10-13-4-3-9-23-13)19-24(21,22)14-7-5-12(17)6-8-14/h3-9,11,15,19H,10H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 386.93 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 24537811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).