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

C14H15ClN4O3S2 — CID 24647552

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15ClN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20)
InChIKeyAVZFJHVEIUQTOJ-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.38
Rot. Bonds7

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

3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24647552) has the molecular formula C14H15ClN4O3S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24647552
Molecular FormulaC14H15ClN4O3S2
Molecular Weight386.89 g/mol
Exact Mass386.03
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15ClN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20)
InChIKeyAVZFJHVEIUQTOJ-UHFFFAOYSA-N
XLogP2.38
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24647554
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647555
3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2087123
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24647572
3-[(4-bromophenyl)sulfonylamino]-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17192467
3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611804
3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225716
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2225539
3-(4-chlorophenyl)sulfanyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17193669
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (CID 24647552) is 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC2)s1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is AVZFJHVEIUQTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 386.89 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24647552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).