4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

C21H20N4O3S — CID 39028264

IUPAC4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)c2)n1
InChIInChI=1S/C21H20N4O3S/c1-14-22-12-11-20(23-14)16-3-2-4-18(13-16)24-21(26)15-5-9-19(10-6-15)29(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,24,26)
InChIKeyOULFOGDPBVIEMW-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.15
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (PubChem CID 39028264) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
PubChem CID39028264
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)c2)n1
InChIInChI=1S/C21H20N4O3S/c1-14-22-12-11-20(23-14)16-3-2-4-18(13-16)24-21(26)15-5-9-19(10-6-15)29(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,24,26)
InChIKeyOULFOGDPBVIEMW-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39260069
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259977
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
4-tert-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 3856814
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
4-(cyclopropylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 27544592
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 46550501
1-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 95302837

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (CID 39028264) is 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is Cc1nccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)c2)n1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The InChIKey is OULFOGDPBVIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14-22-12-11-20(23-14)16-3-2-4-18(13-16)24-21(26)15-5-9-19(10-6-15)29(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,24,26).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 39028264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).