2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide

C21H25ClN4O5S — CID 24818400

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O5S/c1-3-26(14-20(28)23-12-16-4-6-17(22)7-5-16)21(29)13-24-32(30,31)19-10-8-18(9-11-19)25-15(2)27/h4-11,24H,3,12-14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyRNLRWFDWUIEBTB-UHFFFAOYSA-N
MW480.97 g/mol
LogP1.74
Rot. Bonds10

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide (PubChem CID 24818400) has the molecular formula C21H25ClN4O5S and a molecular weight of 480.97 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide
PubChem CID24818400
Molecular FormulaC21H25ClN4O5S
Molecular Weight480.97 g/mol
Exact Mass480.12
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O5S/c1-3-26(14-20(28)23-12-16-4-6-17(22)7-5-16)21(29)13-24-32(30,31)19-10-8-18(9-11-19)25-15(2)27/h4-11,24H,3,12-14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyRNLRWFDWUIEBTB-UHFFFAOYSA-N
XLogP1.74
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide (CID 24818400) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide?
The InChIKey is RNLRWFDWUIEBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c1-3-26(14-20(28)23-12-16-4-6-17(22)7-5-16)21(29)13-24-32(30,31)19-10-8-18(9-11-19)25-15(2)27/h4-11,24H,3,12-14H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide has a molecular weight of 480.97 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide is sourced from PubChem (CID 24818400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).