2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

C14H21ClN2O3S — CID 30168964

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCC(C)C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)8-16-14(18)9-17(21(4,19)20)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyRWQSDVUCLUZRPO-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 30168964) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
PubChem CID30168964
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCC(C)C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)8-16-14(18)9-17(21(4,19)20)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyRWQSDVUCLUZRPO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
CID 113157055
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 100766704
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30222547
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
2-[benzyl-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212037
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2281691

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (CID 30168964) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCC(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is RWQSDVUCLUZRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(2)8-16-14(18)9-17(21(4,19)20)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 30168964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).