N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide

C19H25N3O3S — CID 55792414

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)s1
InChIInChI=1S/C19H25N3O3S/c1-3-4-9-17-21-22-19(26-17)20-18(23)13-10-11-15(16(12-13)24-2)25-14-7-5-6-8-14/h10-12,14H,3-9H2,1-2H3,(H,20,22,23)
InChIKeyFHJFLVSRPIKVFK-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.46
Rot. Bonds8

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide (PubChem CID 55792414) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
PubChem CID55792414
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)s1
InChIInChI=1S/C19H25N3O3S/c1-3-4-9-17-21-22-19(26-17)20-18(23)13-10-11-15(16(12-13)24-2)25-14-7-5-6-8-14/h10-12,14H,3-9H2,1-2H3,(H,20,22,23)
InChIKeyFHJFLVSRPIKVFK-UHFFFAOYSA-N
XLogP4.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-cyclopentyloxy-3-methoxybenzamide
CID 55793064
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-cyclohexyloxybenzamide;carbonic acid
CID 90105954
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide (CID 55792414) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide is CCCCc1nnc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide?
The InChIKey is FHJFLVSRPIKVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-4-9-17-21-22-19(26-17)20-18(23)13-10-11-15(16(12-13)24-2)25-14-7-5-6-8-14/h10-12,14H,3-9H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide has a molecular weight of 375.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide is sourced from PubChem (CID 55792414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).