(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C21H27N3O7S — CID 41261269

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O7S/c1-13(24-32(27,28)17-8-6-16(7-9-17)23-14(2)25)21(26)22-12-15-10-18(29-3)20(31-5)19(11-15)30-4/h6-11,13,24H,12H2,1-5H3,(H,22,26)(H,23,25)/t13-/m0/s1
InChIKeyUHLODORFRWJAHJ-ZDUSSCGKSA-N
MW465.53 g/mol
LogP1.65
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 41261269) has the molecular formula C21H27N3O7S and a molecular weight of 465.53 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID41261269
Molecular FormulaC21H27N3O7S
Molecular Weight465.53 g/mol
Exact Mass465.16
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O7S/c1-13(24-32(27,28)17-8-6-16(7-9-17)23-14(2)25)21(26)22-12-15-10-18(29-3)20(31-5)19(11-15)30-4/h6-11,13,24H,12H2,1-5H3,(H,22,26)(H,23,25)/t13-/m0/s1
InChIKeyUHLODORFRWJAHJ-ZDUSSCGKSA-N
XLogP1.65
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 55942705
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55937487
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
CID 39471769
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 41261269) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is UHLODORFRWJAHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H27N3O7S/c1-13(24-32(27,28)17-8-6-16(7-9-17)23-14(2)25)21(26)22-12-15-10-18(29-3)20(31-5)19(11-15)30-4/h6-11,13,24H,12H2,1-5H3,(H,22,26)(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 465.53 g/mol, XLogP of 1.65, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 41261269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).