2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide

C14H21ClN2O3S — CID 100563222

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)11(3)16-14(18)9-17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyPQCXJCFQBFOIBJ-LLVKDONJSA-N
MW332.85 g/mol
LogP2.27
Rot. Bonds6

About 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 100563222) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID100563222
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)11(3)16-14(18)9-17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyPQCXJCFQBFOIBJ-LLVKDONJSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100565454
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 100563222) is 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is PQCXJCFQBFOIBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(2)11(3)16-14(18)9-17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 100563222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).