2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide

C26H29ClN2O3S — CID 30200017

IUPAC2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-20(2)21-14-16-23(17-15-21)29(33(31,32)24-11-4-3-5-12-24)19-26(30)28-18-8-10-22-9-6-7-13-25(22)27/h3-7,9,11-17,20H,8,10,18-19H2,1-2H3,(H,28,30)
InChIKeyHHNBYIACVXSFPR-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.41
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide (PubChem CID 30200017) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide
PubChem CID30200017
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-20(2)21-14-16-23(17-15-21)29(33(31,32)24-11-4-3-5-12-24)19-26(30)28-18-8-10-22-9-6-7-13-25(22)27/h3-7,9,11-17,20H,8,10,18-19H2,1-2H3,(H,28,30)
InChIKeyHHNBYIACVXSFPR-UHFFFAOYSA-N
XLogP5.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226854
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-phenylsulfanylpropyl)acetamide
CID 30200074
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 30228380
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343251
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30201358
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126129720
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30229871
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide (CID 30200017) is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide is CC(C)c1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
The InChIKey is HHNBYIACVXSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-20(2)21-14-16-23(17-15-21)29(33(31,32)24-11-4-3-5-12-24)19-26(30)28-18-8-10-22-9-6-7-13-25(22)27/h3-7,9,11-17,20H,8,10,18-19H2,1-2H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide has a molecular weight of 485.05 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 30200017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).