N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide

C31H30N4O3S — CID 4238725

IUPACN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H30N4O3S/c1-3-19-34(39(37,38)28-18-15-24-9-7-8-12-26(24)20-28)22-31(36)32-30-21-29(25-10-5-4-6-11-25)33-35(30)27-16-13-23(2)14-17-27/h4-18,20-21H,3,19,22H2,1-2H3,(H,32,36)
InChIKeyJSHVEQASWVXUII-UHFFFAOYSA-N
MW538.67 g/mol
LogP6.04
Rot. Bonds9

About N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide

N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide (PubChem CID 4238725) has the molecular formula C31H30N4O3S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide
PubChem CID4238725
Molecular FormulaC31H30N4O3S
Molecular Weight538.67 g/mol
Exact Mass538.20
IUPAC NameN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H30N4O3S/c1-3-19-34(39(37,38)28-18-15-24-9-7-8-12-26(24)20-28)22-31(36)32-30-21-29(25-10-5-4-6-11-25)33-35(30)27-16-13-23(2)14-17-27/h4-18,20-21H,3,19,22H2,1-2H3,(H,32,36)
InChIKeyJSHVEQASWVXUII-UHFFFAOYSA-N
XLogP6.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4027759
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(4-methoxyphenyl)sulfonyl-pentylamino]acetamide
CID 3993439
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 3929649
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 3966020
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42734159
2-[butyl(naphthalen-2-ylsulfonyl)amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3317731
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide (CID 4238725) is N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide?
The InChIKey is JSHVEQASWVXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3S/c1-3-19-34(39(37,38)28-18-15-24-9-7-8-12-26(24)20-28)22-31(36)32-30-21-29(25-10-5-4-6-11-25)33-35(30)27-16-13-23(2)14-17-27/h4-18,20-21H,3,19,22H2,1-2H3,(H,32,36).
What are the key properties of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide?
N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide has a molecular weight of 538.67 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 4238725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).