N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide

C18H17N3O4S — CID 49182841

IUPACN-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H17N3O4S/c1-25-17-8-5-12(11-19)9-16(17)20-18(22)13-3-2-4-15(10-13)26(23,24)21-14-6-7-14/h2-5,8-10,14,21H,6-7H2,1H3,(H,20,22)
InChIKeyRQZPWJSWBKLPAR-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.26
Rot. Bonds6

About N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide

N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 49182841) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
PubChem CID49182841
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H17N3O4S/c1-25-17-8-5-12(11-19)9-16(17)20-18(22)13-3-2-4-15(10-13)26(23,24)21-14-6-7-14/h2-5,8-10,14,21H,6-7H2,1H3,(H,20,22)
InChIKeyRQZPWJSWBKLPAR-UHFFFAOYSA-N
XLogP2.26
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574013
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55547898
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide (CID 49182841) is N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide is COc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is RQZPWJSWBKLPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-17-8-5-12(11-19)9-16(17)20-18(22)13-3-2-4-15(10-13)26(23,24)21-14-6-7-14/h2-5,8-10,14,21H,6-7H2,1H3,(H,20,22).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide?
N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 49182841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).