2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

C25H32N4O3S — CID 42734159

IUPAC2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H32N4O3S/c1-5-6-17-28(33(31,32)21-15-11-8-12-16-21)19-24(30)26-23-18-22(25(2,3)4)27-29(23)20-13-9-7-10-14-20/h7-16,18H,5-6,17,19H2,1-4H3,(H,26,30)
InChIKeyQHARGGWWKSNKNB-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.60
Rot. Bonds9

About 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 42734159) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID42734159
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H32N4O3S/c1-5-6-17-28(33(31,32)21-15-11-8-12-16-21)19-24(30)26-23-18-22(25(2,3)4)27-29(23)20-13-9-7-10-14-20/h7-16,18H,5-6,17,19H2,1-4H3,(H,26,30)
InChIKeyQHARGGWWKSNKNB-UHFFFAOYSA-N
XLogP4.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3401511
2-[butyl(phenylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733849
2-[butyl-(2-methoxyacetyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733145
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740710
N-butyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 4216357
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3311141
N-butyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3561418
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-3,3-dimethyl-N-propylbutanamide
CID 42733476
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3660360
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]hexanamide
CID 4665313
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 1067288

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (CID 42734159) is 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is QHARGGWWKSNKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-5-6-17-28(33(31,32)21-15-11-8-12-16-21)19-24(30)26-23-18-22(25(2,3)4)27-29(23)20-13-9-7-10-14-20/h7-16,18H,5-6,17,19H2,1-4H3,(H,26,30).
What are the key properties of 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 468.62 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42734159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).