N-(3-hydroxypropylcarbamothioyl)benzamide

C11H14N2O2S — CID 4927187

IUPACN-(3-hydroxypropylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCCO)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c14-8-4-7-12-11(16)13-10(15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H2,12,13,15,16)
InChIKeyJOYPIBBKYLSFKS-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.67
Rot. Bonds4

About N-(3-hydroxypropylcarbamothioyl)benzamide

N-(3-hydroxypropylcarbamothioyl)benzamide (PubChem CID 4927187) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-hydroxypropylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropylcarbamothioyl)benzamide
PubChem CID4927187
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(3-hydroxypropylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCCO)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c14-8-4-7-12-11(16)13-10(15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H2,12,13,15,16)
InChIKeyJOYPIBBKYLSFKS-UHFFFAOYSA-N
XLogP0.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropylcarbamothioyl)-3-methylbenzamide
CID 4927183
3-(benzoylcarbamothioylamino)propyl-tert-butylcarbamic acid
CID 118379604
N-(benzylcarbamothioyl)benzamide
CID 700976
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
CID 88874738
N-[2-(pyrimidin-2-ylmethylamino)ethylcarbamothioyl]benzamide
CID 20557690
N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134087190
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
3-(2-chlorophenyl)-N-(3-hydroxypropylcarbamothioyl)prop-2-enamide
CID 4927202
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropylcarbamothioyl)benzamide?
The IUPAC name of N-(3-hydroxypropylcarbamothioyl)benzamide (CID 4927187) is N-(3-hydroxypropylcarbamothioyl)benzamide.
What is the SMILES notation for N-(3-hydroxypropylcarbamothioyl)benzamide?
The canonical SMILES for N-(3-hydroxypropylcarbamothioyl)benzamide is O=C(NC(=S)NCCCO)c1ccccc1.
What is the InChIKey of N-(3-hydroxypropylcarbamothioyl)benzamide?
The InChIKey is JOYPIBBKYLSFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-8-4-7-12-11(16)13-10(15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H2,12,13,15,16).
What are the key properties of N-(3-hydroxypropylcarbamothioyl)benzamide?
N-(3-hydroxypropylcarbamothioyl)benzamide has a molecular weight of 238.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropylcarbamothioyl)benzamide is sourced from PubChem (CID 4927187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).