4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide

C19H23ClN2O4S — CID 53285147

IUPAC4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
SMILESCCOc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-3-26-18-10-5-8-16(14-18)21-19(23)11-6-12-22(27(2,24)25)17-9-4-7-15(20)13-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,23)
InChIKeyOJBIAHBIZPAMEU-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.92
Rot. Bonds9

About 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide

4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide (PubChem CID 53285147) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
PubChem CID53285147
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
SMILESCCOc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-3-26-18-10-5-8-16(14-18)21-19(23)11-6-12-22(27(2,24)25)17-9-4-7-15(20)13-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,23)
InChIKeyOJBIAHBIZPAMEU-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 9180922
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide (CID 53285147) is 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide is CCOc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The InChIKey is OJBIAHBIZPAMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-3-26-18-10-5-8-16(14-18)21-19(23)11-6-12-22(27(2,24)25)17-9-4-7-15(20)13-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide has a molecular weight of 410.92 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide is sourced from PubChem (CID 53285147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).