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

C15H16N4O3S2 — CID 55540564

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCC)s2)cc1
InChIInChI=1S/C15H16N4O3S2/c1-3-5-13-18-19-15(23-13)17-14(20)11-6-8-12(9-7-11)24(21,22)16-10-4-2/h2,6-9,16H,3,5,10H2,1H3,(H,17,19,20)
InChIKeyVYEDEEPEYIVONH-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.65
Rot. Bonds7

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55540564) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55540564
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCC)s2)cc1
InChIInChI=1S/C15H16N4O3S2/c1-3-5-13-18-19-15(23-13)17-14(20)11-6-8-12(9-7-11)24(21,22)16-10-4-2/h2,6-9,16H,3,5,10H2,1H3,(H,17,19,20)
InChIKeyVYEDEEPEYIVONH-UHFFFAOYSA-N
XLogP1.65
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.65
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-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823
4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34112252
N-(5-methyl-1,3-thiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804829
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804492
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-acetamido-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193282
4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193090
4-(cyclopropylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551104

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 55540564) is N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCC)s2)cc1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is VYEDEEPEYIVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-3-5-13-18-19-15(23-13)17-14(20)11-6-8-12(9-7-11)24(21,22)16-10-4-2/h2,6-9,16H,3,5,10H2,1H3,(H,17,19,20).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55540564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).