2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C20H25ClN2O4S — CID 53279484

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)27-18-9-6-16(7-10-18)12-22-20(24)13-23(28(4,25)26)19-11-17(21)8-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyLLKDRBZGLSCFOO-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.52
Rot. Bonds8

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 53279484) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID53279484
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)27-18-9-6-16(7-10-18)12-22-20(24)13-23(28(4,25)26)19-11-17(21)8-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyLLKDRBZGLSCFOO-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30222547
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30306036
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206906
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92676806
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 53279484) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is LLKDRBZGLSCFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14(2)27-18-9-6-16(7-10-18)12-22-20(24)13-23(28(4,25)26)19-11-17(21)8-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 53279484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).