5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide

C23H26N4O3S — CID 46679738

IUPAC5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-9-12-20(31(29,30)26-18-10-11-18)13-21(15)23(28)24-14-22-16(2)25-27(17(22)3)19-7-5-4-6-8-19/h4-9,12-13,18,26H,10-11,14H2,1-3H3,(H,24,28)
InChIKeySBTAFNLSTZYDLP-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.17
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide (PubChem CID 46679738) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
PubChem CID46679738
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-9-12-20(31(29,30)26-18-10-11-18)13-21(15)23(28)24-14-22-16(2)25-27(17(22)3)19-7-5-4-6-8-19/h4-9,12-13,18,26H,10-11,14H2,1-3H3,(H,24,28)
InChIKeySBTAFNLSTZYDLP-UHFFFAOYSA-N
XLogP3.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 39969897
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024
5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24654863
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134034027
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide (CID 46679738) is 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide?
The InChIKey is SBTAFNLSTZYDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-9-12-20(31(29,30)26-18-10-11-18)13-21(15)23(28)24-14-22-16(2)25-27(17(22)3)19-7-5-4-6-8-19/h4-9,12-13,18,26H,10-11,14H2,1-3H3,(H,24,28).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 46679738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).