N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide

C27H28N4O3S — CID 31798787

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C27H28N4O3S/c1-21-13-14-25(35(33,34)29-17-22-9-5-3-6-10-22)15-26(21)27(32)30(2)18-24-16-28-31(20-24)19-23-11-7-4-8-12-23/h3-16,20,29H,17-19H2,1-2H3
InChIKeyZNLALYCVBQBRHB-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.99
Rot. Bonds9

About N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 31798787) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID31798787
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C27H28N4O3S/c1-21-13-14-25(35(33,34)29-17-22-9-5-3-6-10-22)15-26(21)27(32)30(2)18-24-16-28-31(20-24)19-23-11-7-4-8-12-23/h3-16,20,29H,17-19H2,1-2H3
InChIKeyZNLALYCVBQBRHB-UHFFFAOYSA-N
XLogP3.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
2-[[5-(benzylsulfamoyl)-2-methylbenzoyl]-methylamino]propanoic acid
CID 119209339
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide (CID 31798787) is N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is ZNLALYCVBQBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-21-13-14-25(35(33,34)29-17-22-9-5-3-6-10-22)15-26(21)27(32)30(2)18-24-16-28-31(20-24)19-23-11-7-4-8-12-23/h3-16,20,29H,17-19H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 488.61 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 31798787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).