2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide

C15H23ClN2O3S — CID 133166319

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)13-7-6-11(3)14(16)8-13/h6-8,10,12H,9H2,1-5H3,(H,17,19)
InChIKeyMTRSFUXGIQMNLQ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.58
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 133166319) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID133166319
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)13-7-6-11(3)14(16)8-13/h6-8,10,12H,9H2,1-5H3,(H,17,19)
InChIKeyMTRSFUXGIQMNLQ-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2285699
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896049
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46763931
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 133166319) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide is Cc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is MTRSFUXGIQMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)13-7-6-11(3)14(16)8-13/h6-8,10,12H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 346.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 133166319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).