2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide

C15H21N3O4S — CID 43047270

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-11(19)17-13-5-7-14(8-6-13)23(21,22)18(2)10-15(20)16-9-12-3-4-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyVTCZAORGXYGWCO-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.79
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide (PubChem CID 43047270) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
PubChem CID43047270
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-11(19)17-13-5-7-14(8-6-13)23(21,22)18(2)10-15(20)16-9-12-3-4-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyVTCZAORGXYGWCO-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
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-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119458682
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
CID 9405951
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 18204253

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide (CID 43047270) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is VTCZAORGXYGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11(19)17-13-5-7-14(8-6-13)23(21,22)18(2)10-15(20)16-9-12-3-4-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 43047270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).