3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C13H16N4O3S2 — CID 34111874

IUPAC3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-3-5-11-15-16-13(21-11)14-12(18)9-6-4-7-10(8-9)17-22(2,19)20/h4,6-8,17H,3,5H2,1-2H3,(H,14,16,18)
InChIKeyZUFNTXQLOHRVQL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.11
Rot. Bonds6

About 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 34111874) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID34111874
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-3-5-11-15-16-13(21-11)14-12(18)9-6-4-7-10(8-9)17-22(2,19)20/h4,6-8,17H,3,5H2,1-2H3,(H,14,16,18)
InChIKeyZUFNTXQLOHRVQL-UHFFFAOYSA-N
XLogP2.11
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
CID 55954381
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650
2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 86846575
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 34111874) is 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1.
What is the InChIKey of 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ZUFNTXQLOHRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-3-5-11-15-16-13(21-11)14-12(18)9-6-4-7-10(8-9)17-22(2,19)20/h4,6-8,17H,3,5H2,1-2H3,(H,14,16,18).
What are the key properties of 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 34111874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).