N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C21H22N4O4S — CID 55947712

IUPACN-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H22N4O4S/c1-29-19-10-7-16(11-20(19)30(27,28)24-17-8-9-17)21(26)23-18-12-22-25(14-18)13-15-5-3-2-4-6-15/h2-7,10-12,14,17,24H,8-9,13H2,1H3,(H,23,26)
InChIKeyVSMALEUCEUWGCJ-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.63
Rot. Bonds8

About N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 55947712) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID55947712
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H22N4O4S/c1-29-19-10-7-16(11-20(19)30(27,28)24-17-8-9-17)21(26)23-18-12-22-25(14-18)13-15-5-3-2-4-6-15/h2-7,10-12,14,17,24H,8-9,13H2,1H3,(H,23,26)
InChIKeyVSMALEUCEUWGCJ-UHFFFAOYSA-N
XLogP2.63
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 51957951
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46494532
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
CID 55814556
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(1-benzylpyrazol-4-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 60552891
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 55947712) is N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VSMALEUCEUWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-29-19-10-7-16(11-20(19)30(27,28)24-17-8-9-17)21(26)23-18-12-22-25(14-18)13-15-5-3-2-4-6-15/h2-7,10-12,14,17,24H,8-9,13H2,1H3,(H,23,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 426.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55947712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).