2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide

C26H28Cl2N2O3S — CID 43902492

IUPAC2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(CC(C)C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C26H28Cl2N2O3S/c1-18(2)13-25(20-7-5-4-6-8-20)29-26(31)17-30(23-15-21(27)14-22(28)16-23)34(32,33)24-11-9-19(3)10-12-24/h4-12,14-16,18,25H,13,17H2,1-3H3,(H,29,31)
InChIKeyGUKBLLGUZRZIGW-UHFFFAOYSA-N
MW519.49 g/mol
LogP6.40
Rot. Bonds9

About 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 43902492) has the molecular formula C26H28Cl2N2O3S and a molecular weight of 519.49 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID43902492
Molecular FormulaC26H28Cl2N2O3S
Molecular Weight519.49 g/mol
Exact Mass518.12
IUPAC Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(CC(C)C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C26H28Cl2N2O3S/c1-18(2)13-25(20-7-5-4-6-8-20)29-26(31)17-30(23-15-21(27)14-22(28)16-23)34(32,33)24-11-9-19(3)10-12-24/h4-12,14-16,18,25H,13,17H2,1-3H3,(H,29,31)
InChIKeyGUKBLLGUZRZIGW-UHFFFAOYSA-N
XLogP6.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.49
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 92673496
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306138
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305941
N-(3-methyl-1-phenylbutyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902239
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 124662515
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43875315
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 92678401
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 28635768
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30304078
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306397
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 92675322
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94863973

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide (CID 43902492) is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(CC(C)C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is GUKBLLGUZRZIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3S/c1-18(2)13-25(20-7-5-4-6-8-20)29-26(31)17-30(23-15-21(27)14-22(28)16-23)34(32,33)24-11-9-19(3)10-12-24/h4-12,14-16,18,25H,13,17H2,1-3H3,(H,29,31).
What are the key properties of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 519.49 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 43902492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).