(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide

C22H29N3O6S — CID 39471769

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H29N3O6S/c1-5-6-13-31-21-12-9-18(30-4)14-20(21)24-22(27)15(2)25-32(28,29)19-10-7-17(8-11-19)23-16(3)26/h7-12,14-15,25H,5-6,13H2,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyUTFLXEAJNLHKAT-HNNXBMFYSA-N
MW463.56 g/mol
LogP3.14
Rot. Bonds11

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide (PubChem CID 39471769) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
PubChem CID39471769
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H29N3O6S/c1-5-6-13-31-21-12-9-18(30-4)14-20(21)24-22(27)15(2)25-32(28,29)19-10-7-17(8-11-19)23-16(3)26/h7-12,14-15,25H,5-6,13H2,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyUTFLXEAJNLHKAT-HNNXBMFYSA-N
XLogP3.14
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 55942705
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55950157
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
CID 46437000
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide (CID 39471769) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide is CCCCOc1ccc(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide?
The InChIKey is UTFLXEAJNLHKAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-5-6-13-31-21-12-9-18(30-4)14-20(21)24-22(27)15(2)25-32(28,29)19-10-7-17(8-11-19)23-16(3)26/h7-12,14-15,25H,5-6,13H2,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide has a molecular weight of 463.56 g/mol, XLogP of 3.14, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide is sourced from PubChem (CID 39471769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).