4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C16H22N4O3S2 — CID 34112252

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)s1
InChIInChI=1S/C16H22N4O3S2/c1-5-6-14-18-19-16(24-14)17-15(21)12-7-9-13(10-8-12)25(22,23)20(4)11(2)3/h7-11H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyGPDDBEYNKSQGJR-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.77
Rot. Bonds7

About 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 34112252) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID34112252
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)s1
InChIInChI=1S/C16H22N4O3S2/c1-5-6-14-18-19-16(24-14)17-15(21)12-7-9-13(10-8-12)25(22,23)20(4)11(2)3/h7-11H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyGPDDBEYNKSQGJR-UHFFFAOYSA-N
XLogP2.77
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55540564
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
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-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839573
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
4-[methyl(propan-2-yl)sulfamoyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 35804701
N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide
CID 110827861
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 34112252) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)s1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GPDDBEYNKSQGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-5-6-14-18-19-16(24-14)17-15(21)12-7-9-13(10-8-12)25(22,23)20(4)11(2)3/h7-11H,5-6H2,1-4H3,(H,17,19,21).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 34112252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).