N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide

C18H19N3O4S — CID 113144770

IUPACN-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2C#N)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-16-9-7-15(8-10-16)21(26(2,23)24)12-11-18(22)20-17-6-4-3-5-14(17)13-19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySVYWZMOQVVRSEQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.36
Rot. Bonds7

About N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide

N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144770) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144770
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2C#N)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-16-9-7-15(8-10-16)21(26(2,23)24)12-11-18(22)20-17-6-4-3-5-14(17)13-19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySVYWZMOQVVRSEQ-UHFFFAOYSA-N
XLogP2.36
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
CID 113154862
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 113146908
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 133262283
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
methyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155919
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 113144770) is N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(CCC(=O)Nc2ccccc2C#N)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SVYWZMOQVVRSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-16-9-7-15(8-10-16)21(26(2,23)24)12-11-18(22)20-17-6-4-3-5-14(17)13-19/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 373.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).