2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide

C23H24N2O4S — CID 3139129

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c1-18(19-10-5-3-6-11-19)24-23(26)17-25(20-12-9-13-21(16-20)29-2)30(27,28)22-14-7-4-8-15-22/h3-16,18H,17H2,1-2H3,(H,24,26)
InChIKeyBQFMZVCMYIXUSB-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.77
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide (PubChem CID 3139129) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
PubChem CID3139129
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c1-18(19-10-5-3-6-11-19)24-23(26)17-25(20-12-9-13-21(16-20)29-2)30(27,28)22-14-7-4-8-15-22/h3-16,18H,17H2,1-2H3,(H,24,26)
InChIKeyBQFMZVCMYIXUSB-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304253
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43876650
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43892446
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
CID 3139093
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 30306621
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92678299
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide (CID 3139129) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide is COc1cccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide?
The InChIKey is BQFMZVCMYIXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18(19-10-5-3-6-11-19)24-23(26)17-25(20-12-9-13-21(16-20)29-2)30(27,28)22-14-7-4-8-15-22/h3-16,18H,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3139129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).