4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

C18H26N4O3S2 — CID 46550915

IUPAC4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-9-16-20-21-18(26-16)19-17(23)14-10-12-15(13-11-14)22-27(2,24)25/h10-13,22H,3-9H2,1-2H3,(H,19,21,23)
InChIKeySAEARLPRCDUNBO-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.06
Rot. Bonds11

About 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 46550915) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID46550915
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-9-16-20-21-18(26-16)19-17(23)14-10-12-15(13-11-14)22-27(2,24)25/h10-13,22H,3-9H2,1-2H3,(H,19,21,23)
InChIKeySAEARLPRCDUNBO-UHFFFAOYSA-N
XLogP4.06
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839573
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
4-(cyclopropylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551104
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
4-chloro-3-(dimethylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55378023
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
CID 24617419

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide (CID 46550915) is 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCCCCc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1.
What is the InChIKey of 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SAEARLPRCDUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-9-16-20-21-18(26-16)19-17(23)14-10-12-15(13-11-14)22-27(2,24)25/h10-13,22H,3-9H2,1-2H3,(H,19,21,23).
What are the key properties of 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 410.57 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 46550915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).