2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide

C14H22N2O3S — CID 40604128

IUPAC2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-4-8-11-15-14(17)12-16(2)20(18,19)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)
InChIKeyVFBVISLRDWOCRH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.61
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide

2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide (PubChem CID 40604128) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
PubChem CID40604128
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-4-8-11-15-14(17)12-16(2)20(18,19)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)
InChIKeyVFBVISLRDWOCRH-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide 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

2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
CID 126396038
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951462
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide (CID 40604128) is 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide is CCCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide?
The InChIKey is VFBVISLRDWOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-8-11-15-14(17)12-16(2)20(18,19)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide is sourced from PubChem (CID 40604128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).