N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide

C15H17N3O3S — CID 99624411

IUPACN-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
SMILESCON(C(=O)c1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCC1
InChIInChI=1S/C15H17N3O3S/c1-20-18(12-4-2-3-5-12)14(19)11-8-6-10(7-9-11)13-16-17-15(22)21-13/h6-9,12H,2-5H2,1H3,(H,17,22)
InChIKeyBVSAOWCBKMBVQT-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.35
Rot. Bonds4

About N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide

N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide (PubChem CID 99624411) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
PubChem CID99624411
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
SMILESCON(C(=O)c1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCC1
InChIInChI=1S/C15H17N3O3S/c1-20-18(12-4-2-3-5-12)14(19)11-8-6-10(7-9-11)13-16-17-15(22)21-13/h6-9,12H,2-5H2,1H3,(H,17,22)
InChIKeyBVSAOWCBKMBVQT-UHFFFAOYSA-N
XLogP3.35
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide (CID 99624411) is N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide is CON(C(=O)c1ccc(-c2n[nH]c(=S)o2)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide?
The InChIKey is BVSAOWCBKMBVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-20-18(12-4-2-3-5-12)14(19)11-8-6-10(7-9-11)13-16-17-15(22)21-13/h6-9,12H,2-5H2,1H3,(H,17,22).
What are the key properties of N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide?
N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 99624411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).