2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C14H17BrN4O3S2 — CID 50740566

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H17BrN4O3S2/c1-3-4-12-17-18-14(23-12)16-13(20)9(2)19-24(21,22)11-7-5-10(15)6-8-11/h5-9,19H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyUTRQYLGQYJUVBD-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.56
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 50740566) has the molecular formula C14H17BrN4O3S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID50740566
Molecular FormulaC14H17BrN4O3S2
Molecular Weight433.35 g/mol
Exact Mass431.99
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H17BrN4O3S2/c1-3-4-12-17-18-14(23-12)16-13(20)9(2)19-24(21,22)11-7-5-10(15)6-8-11/h5-9,19H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyUTRQYLGQYJUVBD-UHFFFAOYSA-N
XLogP2.56
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide 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-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740311
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 4564914
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 50740566) is 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UTRQYLGQYJUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3S2/c1-3-4-12-17-18-14(23-12)16-13(20)9(2)19-24(21,22)11-7-5-10(15)6-8-11/h5-9,19H,3-4H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 433.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 50740566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).