2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide

C22H21ClN4O4S — CID 46508678

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O4S/c1-27(32(30,31)20-12-10-16(23)11-13-20)15-21(28)24-18-8-5-9-19(14-18)26-22(29)25-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyDWFLOCJVZFDEFJ-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.24
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 46508678) has the molecular formula C22H21ClN4O4S and a molecular weight of 472.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID46508678
Molecular FormulaC22H21ClN4O4S
Molecular Weight472.95 g/mol
Exact Mass472.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O4S/c1-27(32(30,31)20-12-10-16(23)11-13-20)15-21(28)24-18-8-5-9-19(14-18)26-22(29)25-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyDWFLOCJVZFDEFJ-UHFFFAOYSA-N
XLogP4.24
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide (CID 46508678) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide is CN(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is DWFLOCJVZFDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4S/c1-27(32(30,31)20-12-10-16(23)11-13-20)15-21(28)24-18-8-5-9-19(14-18)26-22(29)25-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 472.95 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 46508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).