4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide

C17H21BrN2O3S2 — CID 86899870

IUPAC4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H21BrN2O3S2/c1-17(2,3)14-11-24-16(19-14)20-15(21)5-4-10-25(22,23)13-8-6-12(18)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,20,21)
InChIKeyIGYVSGPFJQDRBC-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.40
Rot. Bonds6

About 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide

4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide (PubChem CID 86899870) has the molecular formula C17H21BrN2O3S2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
PubChem CID86899870
Molecular FormulaC17H21BrN2O3S2
Molecular Weight445.40 g/mol
Exact Mass444.02
IUPAC Name4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H21BrN2O3S2/c1-17(2,3)14-11-24-16(19-14)20-15(21)5-4-10-25(22,23)13-8-6-12(18)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,20,21)
InChIKeyIGYVSGPFJQDRBC-UHFFFAOYSA-N
XLogP4.40
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide 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

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
2-(4-bromophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 16551571
4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273352
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
CID 41087352
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24648488
4-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41274652
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide (CID 86899870) is 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide is CC(C)(C)c1csc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is IGYVSGPFJQDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3S2/c1-17(2,3)14-11-24-16(19-14)20-15(21)5-4-10-25(22,23)13-8-6-12(18)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide?
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 445.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 86899870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).