2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride

C15H25ClN4O4S — CID 120827176

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C15H24N4O4S.ClH/c1-11(16-3)9-17-15(21)10-19(4)24(22,23)14-7-5-13(6-8-14)18-12(2)20;/h5-8,11,16H,9-10H2,1-4H3,(H,17,21)(H,18,20);1H
InChIKeyLZMLIOISCUTRTP-UHFFFAOYSA-N
MW392.91 g/mol
LogP0.41
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120827176) has the molecular formula C15H25ClN4O4S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120827176
Molecular FormulaC15H25ClN4O4S
Molecular Weight392.91 g/mol
Exact Mass392.13
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C15H24N4O4S.ClH/c1-11(16-3)9-17-15(21)10-19(4)24(22,23)14-7-5-13(6-8-14)18-12(2)20;/h5-8,11,16H,9-10H2,1-4H3,(H,17,21)(H,18,20);1H
InChIKeyLZMLIOISCUTRTP-UHFFFAOYSA-N
XLogP0.41
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531388
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
CID 9405951

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120827176) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.Cl.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is LZMLIOISCUTRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S.ClH/c1-11(16-3)9-17-15(21)10-19(4)24(22,23)14-7-5-13(6-8-14)18-12(2)20;/h5-8,11,16H,9-10H2,1-4H3,(H,17,21)(H,18,20);1H.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120827176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).