2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide

C20H26N2O3S — CID 126067032

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-4-14-21-20(23)16-22(15-18-8-6-5-7-9-18)26(24,25)19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)
InChIKeyRWMGJJBULGSYRS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.10
Rot. Bonds9

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide (PubChem CID 126067032) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
PubChem CID126067032
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-4-14-21-20(23)16-22(15-18-8-6-5-7-9-18)26(24,25)19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)
InChIKeyRWMGJJBULGSYRS-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.10
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

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-butylacetamide
CID 126066266
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
CID 126396038
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012468
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-pentylacetamide
CID 126393057
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100791083
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide (CID 126067032) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide is CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide?
The InChIKey is RWMGJJBULGSYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-4-14-21-20(23)16-22(15-18-8-6-5-7-9-18)26(24,25)19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide is sourced from PubChem (CID 126067032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).