3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide

C20H24N2O3S — CID 36991894

IUPAC3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)16-8-10-18(11-9-16)22-20(23)17-4-3-5-19(12-17)26(24,25)21-13-15-6-7-15/h3-5,8-12,14-15,21H,6-7,13H2,1-2H3,(H,22,23)
InChIKeyJXMVDUGXQXRNND-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.75
Rot. Bonds7

About 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide

3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 36991894) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
PubChem CID36991894
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)16-8-10-18(11-9-16)22-20(23)17-4-3-5-19(12-17)26(24,25)21-13-15-6-7-15/h3-5,8-12,14-15,21H,6-7,13H2,1-2H3,(H,22,23)
InChIKeyJXMVDUGXQXRNND-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide (CID 36991894) is 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is JXMVDUGXQXRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)16-8-10-18(11-9-16)22-20(23)17-4-3-5-19(12-17)26(24,25)21-13-15-6-7-15/h3-5,8-12,14-15,21H,6-7,13H2,1-2H3,(H,22,23).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide?
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 36991894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).