4-chloro-N-(cyclopentylcarbamothioyl)benzamide

C13H15ClN2OS — CID 4922300

IUPAC4-chloro-N-(cyclopentylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2OS/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,16,17,18)
InChIKeyJITYTRLIXSDFOR-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-N-(cyclopentylcarbamothioyl)benzamide

4-chloro-N-(cyclopentylcarbamothioyl)benzamide (PubChem CID 4922300) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylcarbamothioyl)benzamide
PubChem CID4922300
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name4-chloro-N-(cyclopentylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2OS/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,16,17,18)
InChIKeyJITYTRLIXSDFOR-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
4-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]benzamide
CID 42473109
N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353863
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(cyclopentylcarbamothioyl)benzamide (CID 4922300) is 4-chloro-N-(cyclopentylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(cyclopentylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(cyclopentylcarbamothioyl)benzamide is O=C(NC(=S)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(cyclopentylcarbamothioyl)benzamide?
The InChIKey is JITYTRLIXSDFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,16,17,18).
What are the key properties of 4-chloro-N-(cyclopentylcarbamothioyl)benzamide?
4-chloro-N-(cyclopentylcarbamothioyl)benzamide has a molecular weight of 282.80 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylcarbamothioyl)benzamide is sourced from PubChem (CID 4922300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).