N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide

C16H22N4O3S2 — CID 55954381

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H22N4O3S2/c1-5-9-25(22,23)20-12-8-6-7-11(10-12)13(21)17-15-19-18-14(24-15)16(2,3)4/h6-8,10,20H,5,9H2,1-4H3,(H,17,19,21)
InChIKeyYQBYZMCUUNBHIZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.24
Rot. Bonds6

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 55954381) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
PubChem CID55954381
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H22N4O3S2/c1-5-9-25(22,23)20-12-8-6-7-11(10-12)13(21)17-15-19-18-14(24-15)16(2,3)4/h6-8,10,20H,5,9H2,1-4H3,(H,17,19,21)
InChIKeyYQBYZMCUUNBHIZ-UHFFFAOYSA-N
XLogP3.24
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369
3-(octylsulfonylamino)benzoic acid
CID 152726076
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
ethyl 5-[[3-(propylsulfonylamino)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 55627108
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide (CID 55954381) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is YQBYZMCUUNBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-5-9-25(22,23)20-12-8-6-7-11(10-12)13(21)17-15-19-18-14(24-15)16(2,3)4/h6-8,10,20H,5,9H2,1-4H3,(H,17,19,21).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 382.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 55954381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).