N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide

C14H14N4O3S2 — CID 29410773

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(CC)s2)c1
InChIInChI=1S/C14H14N4O3S2/c1-3-8-15-23(20,21)11-7-5-6-10(9-11)13(19)16-14-18-17-12(4-2)22-14/h1,5-7,9,15H,4,8H2,2H3,(H,16,18,19)
InChIKeyMNYDVBXSMSMGSH-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.26
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 29410773) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID29410773
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(CC)s2)c1
InChIInChI=1S/C14H14N4O3S2/c1-3-8-15-23(20,21)11-7-5-6-10(9-11)13(19)16-14-18-17-12(4-2)22-14/h1,5-7,9,15H,4,8H2,2H3,(H,16,18,19)
InChIKeyMNYDVBXSMSMGSH-UHFFFAOYSA-N
XLogP1.26
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55540564
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650
3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226764
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 107642805
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 30581833

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 29410773) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(CC)s2)c1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is MNYDVBXSMSMGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-3-8-15-23(20,21)11-7-5-6-10(9-11)13(19)16-14-18-17-12(4-2)22-14/h1,5-7,9,15H,4,8H2,2H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 350.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 29410773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).