N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide

C14H16N4O3S — CID 71850107

IUPACN-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)[nH]2)c1
InChIInChI=1S/C14H16N4O3S/c1-3-7-16-22(20,21)12-6-4-5-11(8-12)13(19)18-14-15-9-10(2)17-14/h3-6,8-9,16H,1,7H2,2H3,(H2,15,17,18,19)
InChIKeySSDULIZXRPDMCN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.43
Rot. Bonds6

About N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide

N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 71850107) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID71850107
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)[nH]2)c1
InChIInChI=1S/C14H16N4O3S/c1-3-7-16-22(20,21)12-6-4-5-11(8-12)13(19)18-14-15-9-10(2)17-14/h3-6,8-9,16H,1,7H2,2H3,(H2,15,17,18,19)
InChIKeySSDULIZXRPDMCN-UHFFFAOYSA-N
XLogP1.43
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35983340
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35999033
N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 134037441
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide (CID 71850107) is N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)[nH]2)c1.
What is the InChIKey of N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is SSDULIZXRPDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-3-7-16-22(20,21)12-6-4-5-11(8-12)13(19)18-14-15-9-10(2)17-14/h3-6,8-9,16H,1,7H2,2H3,(H2,15,17,18,19).
What are the key properties of N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 320.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 71850107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).