2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide

C19H23ClN2O4S — CID 53282903

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
SMILESCCOc1cccc(NC(=O)C(CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-4-18(19(23)21-15-9-7-11-17(13-15)26-5-2)22(27(3,24)25)16-10-6-8-14(20)12-16/h6-13,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyJBADEOSMJKLNSD-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.92
Rot. Bonds8

About 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide

2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide (PubChem CID 53282903) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
PubChem CID53282903
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
SMILESCCOc1cccc(NC(=O)C(CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-4-18(19(23)21-15-9-7-11-17(13-15)26-5-2)22(27(3,24)25)16-10-6-8-14(20)12-16/h6-13,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyJBADEOSMJKLNSD-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 94018605
N-(3-chlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132664002
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165258
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)butanamide
CID 132665009
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94864383

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide (CID 53282903) is 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide is CCOc1cccc(NC(=O)C(CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
The InChIKey is JBADEOSMJKLNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-18(19(23)21-15-9-7-11-17(13-15)26-5-2)22(27(3,24)25)16-10-6-8-14(20)12-16/h6-13,18H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide has a molecular weight of 410.92 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide is sourced from PubChem (CID 53282903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).