2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide

C13H21N3O3S — CID 119429589

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-14-9-6-10-15-13(17)11-16(2)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyOWFGWROXMXVNLJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.03
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide (PubChem CID 119429589) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
PubChem CID119429589
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-14-9-6-10-15-13(17)11-16(2)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyOWFGWROXMXVNLJ-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951462
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119431251
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100589399
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 94627376
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119433473
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide (CID 119429589) is 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide?
The InChIKey is OWFGWROXMXVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-14-9-6-10-15-13(17)11-16(2)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119429589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).