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

C20H21ClN4O3S2 — CID 50740311

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H21ClN4O3S2/c1-2-6-18-23-24-20(29-18)22-19(26)17(13-14-7-4-3-5-8-14)25-30(27,28)16-11-9-15(21)10-12-16/h3-5,7-12,17,25H,2,6,13H2,1H3,(H,22,24,26)
InChIKeyBYKOIVITSOVNJO-UHFFFAOYSA-N
MW465.00 g/mol
LogP3.67
Rot. Bonds9

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

2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 50740311) has the molecular formula C20H21ClN4O3S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID50740311
Molecular FormulaC20H21ClN4O3S2
Molecular Weight465.00 g/mol
Exact Mass464.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H21ClN4O3S2/c1-2-6-18-23-24-20(29-18)22-19(26)17(13-14-7-4-3-5-8-14)25-30(27,28)16-11-9-15(21)10-12-16/h3-5,7-12,17,25H,2,6,13H2,1H3,(H,22,24,26)
InChIKeyBYKOIVITSOVNJO-UHFFFAOYSA-N
XLogP3.67
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 42897297
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740566
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
CID 41374437
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 50740311) is 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BYKOIVITSOVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S2/c1-2-6-18-23-24-20(29-18)22-19(26)17(13-14-7-4-3-5-8-14)25-30(27,28)16-11-9-15(21)10-12-16/h3-5,7-12,17,25H,2,6,13H2,1H3,(H,22,24,26).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 465.00 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 50740311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).