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

C16H20N4O2S — CID 24648084

IUPAC4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(CNC(C)=O)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-3-4-5-14-19-20-16(23-14)18-15(22)13-8-6-12(7-9-13)10-17-11(2)21/h6-9H,3-5,10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyFVVAVKMMOUFWNH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.77
Rot. Bonds7

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

4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 24648084) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID24648084
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(CNC(C)=O)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-3-4-5-14-19-20-16(23-14)18-15(22)13-8-6-12(7-9-13)10-17-11(2)21/h6-9H,3-5,10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyFVVAVKMMOUFWNH-UHFFFAOYSA-N
XLogP2.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 31038872
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839573

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide (CID 24648084) is 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCc1nnc(NC(=O)c2ccc(CNC(C)=O)cc2)s1.
What is the InChIKey of 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FVVAVKMMOUFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-4-5-14-19-20-16(23-14)18-15(22)13-8-6-12(7-9-13)10-17-11(2)21/h6-9H,3-5,10H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 24648084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).