N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide

C14H16Cl2N2OS — CID 61118938

IUPACN-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
SMILESNC(=S)C1(NC(=O)c2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C14H16Cl2N2OS/c15-9-5-4-6-10(16)11(9)12(19)18-14(13(17)20)7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H2,17,20)(H,18,19)
InChIKeyRIQIRLXXINXOHA-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.71
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide

N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide (PubChem CID 61118938) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
PubChem CID61118938
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC NameN-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
SMILESNC(=S)C1(NC(=O)c2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C14H16Cl2N2OS/c15-9-5-4-6-10(16)11(9)12(19)18-14(13(17)20)7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H2,17,20)(H,18,19)
InChIKeyRIQIRLXXINXOHA-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.71
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-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
3-bromo-N-(1-carbamothioylcyclohexyl)-4-chlorobenzamide
CID 107999039
3-bromo-N-(1-carbamothioylcycloheptyl)-4-chlorobenzamide
CID 107999041
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
N-(1-carbamothioylcyclohexyl)-4-chloro-2,5-difluorobenzamide
CID 82772161
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide (CID 61118938) is N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide is NC(=S)C1(NC(=O)c2c(Cl)cccc2Cl)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide?
The InChIKey is RIQIRLXXINXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c15-9-5-4-6-10(16)11(9)12(19)18-14(13(17)20)7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide?
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide has a molecular weight of 331.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 61118938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).