3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

C15H20N2O2S — CID 102862491

IUPAC3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNC(=S)c1cccc(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O2S/c16-14(20)11-4-1-5-12(10-11)15(19)17(8-3-9-18)13-6-2-7-13/h1,4-5,10,13,18H,2-3,6-9H2,(H2,16,20)
InChIKeyNHHVANZDRHUYPE-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.70
Rot. Bonds6

About 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (PubChem CID 102862491) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
PubChem CID102862491
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNC(=S)c1cccc(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O2S/c16-14(20)11-4-1-5-12(10-11)15(19)17(8-3-9-18)13-6-2-7-13/h1,4-5,10,13,18H,2-3,6-9H2,(H2,16,20)
InChIKeyNHHVANZDRHUYPE-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
N-cyclobutyl-N-(3-hydroxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 102870330

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (CID 102862491) is 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is NC(=S)c1cccc(C(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is NHHVANZDRHUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(20)11-4-1-5-12(10-11)15(19)17(8-3-9-18)13-6-2-7-13/h1,4-5,10,13,18H,2-3,6-9H2,(H2,16,20).
What are the key properties of 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 102862491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).