2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide

C27H32N2O7S — CID 92671566

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O7S/c1-6-22(19-10-8-7-9-11-19)28-27(30)18-29(23-16-20(33-2)12-14-24(23)34-3)37(31,32)21-13-15-25(35-4)26(17-21)36-5/h7-17,22H,6,18H2,1-5H3,(H,28,30)/t22-/m0/s1
InChIKeyCSHWKRHRPCGIPK-QFIPXVFZSA-N
MW528.63 g/mol
LogP4.18
Rot. Bonds12

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 92671566) has the molecular formula C27H32N2O7S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID92671566
Molecular FormulaC27H32N2O7S
Molecular Weight528.63 g/mol
Exact Mass528.19
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O7S/c1-6-22(19-10-8-7-9-11-19)28-27(30)18-29(23-16-20(33-2)12-14-24(23)34-3)37(31,32)21-13-15-25(35-4)26(17-21)36-5/h7-17,22H,6,18H2,1-5H3,(H,28,30)/t22-/m0/s1
InChIKeyCSHWKRHRPCGIPK-QFIPXVFZSA-N
XLogP4.18
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 99130704
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
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-phenylpropyl)acetamide
CID 53280344
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99644439
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94862246
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 92647383
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 99130643

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide (CID 92671566) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is CSHWKRHRPCGIPK-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H32N2O7S/c1-6-22(19-10-8-7-9-11-19)28-27(30)18-29(23-16-20(33-2)12-14-24(23)34-3)37(31,32)21-13-15-25(35-4)26(17-21)36-5/h7-17,22H,6,18H2,1-5H3,(H,28,30)/t22-/m0/s1.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 528.63 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 92671566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).