2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide

C27H32N2O6S — CID 53280344

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O6S/c1-5-24(20-10-8-7-9-11-20)28-27(30)19-29(21-12-14-22(15-13-21)35-6-2)36(31,32)23-16-17-25(33-3)26(18-23)34-4/h7-18,24H,5-6,19H2,1-4H3,(H,28,30)
InChIKeyYVFSAJIBFHQENS-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.57
Rot. Bonds12

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 53280344) has the molecular formula C27H32N2O6S and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
PubChem CID53280344
Molecular FormulaC27H32N2O6S
Molecular Weight512.63 g/mol
Exact Mass512.20
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H32N2O6S/c1-5-24(20-10-8-7-9-11-20)28-27(30)19-29(21-12-14-22(15-13-21)35-6-2)36(31,32)23-16-17-25(33-3)26(18-23)34-4/h7-18,24H,5-6,19H2,1-4H3,(H,28,30)
InChIKeyYVFSAJIBFHQENS-UHFFFAOYSA-N
XLogP4.57
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94864421
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161973
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 92647383
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133164937
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38014275
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43916179
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92673156
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43892569
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide (CID 53280344) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide is CCOc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is YVFSAJIBFHQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6S/c1-5-24(20-10-8-7-9-11-20)28-27(30)19-29(21-12-14-22(15-13-21)35-6-2)36(31,32)23-16-17-25(33-3)26(18-23)34-4/h7-18,24H,5-6,19H2,1-4H3,(H,28,30).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 512.63 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 53280344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).