2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide

C21H27ClN2O4S — CID 53279171

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)CC)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O4S/c1-4-17(5-2)23-21(25)15-24(18-9-11-19(12-10-18)28-6-3)29(26,27)20-13-7-16(22)8-14-20/h7-14,17H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyHAZNCKZIHPAMBK-UHFFFAOYSA-N
MW438.98 g/mol
LogP4.24
Rot. Bonds10

About 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide (PubChem CID 53279171) has the molecular formula C21H27ClN2O4S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide
PubChem CID53279171
Molecular FormulaC21H27ClN2O4S
Molecular Weight438.98 g/mol
Exact Mass438.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)CC)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O4S/c1-4-17(5-2)23-21(25)15-24(18-9-11-19(12-10-18)28-6-3)29(26,27)20-13-7-16(22)8-14-20/h7-14,17H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyHAZNCKZIHPAMBK-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897008
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99949202
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1363105
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30306794
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide (CID 53279171) is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide is CCOc1ccc(N(CC(=O)NC(CC)CC)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide?
The InChIKey is HAZNCKZIHPAMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4S/c1-4-17(5-2)23-21(25)15-24(18-9-11-19(12-10-18)28-6-3)29(26,27)20-13-7-16(22)8-14-20/h7-14,17H,4-6,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide has a molecular weight of 438.98 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 53279171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).