4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

C16H20N4O3S2 — CID 60547173

IUPAC4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C16H20N4O3S2/c1-25(22,23)20-16-19-18-15(24-16)17-14(21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyRBYYCQLAGKSGJR-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.21
Rot. Bonds5

About 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 60547173) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID60547173
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C16H20N4O3S2/c1-25(22,23)20-16-19-18-15(24-16)17-14(21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyRBYYCQLAGKSGJR-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-cyclohexylbenzamide
CID 68739431
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2264812
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100566536
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-propylcyclohexyl)benzamide
CID 3249153
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
2-[4-[4-[[5-(cyclopentyloxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]cyclohexyl]acetic acid
CID 46847261
N-(4-cyclohexylphenyl)benzamide
CID 10333838

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (CID 60547173) is 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is RBYYCQLAGKSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-25(22,23)20-16-19-18-15(24-16)17-14(21)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 380.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 60547173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).