3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C19H21N3O4S — CID 113146965

IUPAC3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-26-18-6-4-3-5-16(18)14-21-19(23)11-12-22(27(2,24)25)17-9-7-15(13-20)8-10-17/h3-10H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyWOOXTOVLCSRUCM-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.04
Rot. Bonds8

About 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113146965) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113146965
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-26-18-6-4-3-5-16(18)14-21-19(23)11-12-22(27(2,24)25)17-9-7-15(13-20)8-10-17/h3-10H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyWOOXTOVLCSRUCM-UHFFFAOYSA-N
XLogP2.04
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 113146965) is 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is WOOXTOVLCSRUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-18-6-4-3-5-16(18)14-21-19(23)11-12-22(27(2,24)25)17-9-7-15(13-20)8-10-17/h3-10H,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113146965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).