2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

C20H29BrN4O3S — CID 42740710

IUPAC2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H29BrN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26)
InChIKeyTVBFMCWLEXCKTM-UHFFFAOYSA-N
MW485.45 g/mol
LogP3.91
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 42740710) has the molecular formula C20H29BrN4O3S and a molecular weight of 485.45 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
PubChem CID42740710
Molecular FormulaC20H29BrN4O3S
Molecular Weight485.45 g/mol
Exact Mass484.11
IUPAC Name2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H29BrN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26)
InChIKeyTVBFMCWLEXCKTM-UHFFFAOYSA-N
XLogP3.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42734159
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
2-[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 42658238
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloroacetamide
CID 42740466
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42740482
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[butyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42740512
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenylacetamide
CID 4556483
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42740504

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (CID 42740710) is 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is TVBFMCWLEXCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 485.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42740710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).