2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide

C15H22N4O5S — CID 55378326

IUPAC2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C15H22N4O5S/c1-11(20)17-12-5-7-13(8-6-12)25(23,24)19(4)10-14(21)16-9-15(22)18(2)3/h5-8H,9-10H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyWHLVWGKQWSHOFL-UHFFFAOYSA-N
MW370.43 g/mol
LogP-0.53
Rot. Bonds7

About 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 55378326) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
PubChem CID55378326
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C15H22N4O5S/c1-11(20)17-12-5-7-13(8-6-12)25(23,24)19(4)10-14(21)16-9-15(22)18(2)3/h5-8H,9-10H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyWHLVWGKQWSHOFL-UHFFFAOYSA-N
XLogP-0.53
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
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)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
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-cyclohexylacetamide
CID 2640186
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide (CID 55378326) is 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is WHLVWGKQWSHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-11(20)17-12-5-7-13(8-6-12)25(23,24)19(4)10-14(21)16-9-15(22)18(2)3/h5-8H,9-10H2,1-4H3,(H,16,21)(H,17,20).
What are the key properties of 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 370.43 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 55378326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).