N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide

C20H22ClN3OS — CID 43814168

IUPACN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3OS/c1-14-6-2-3-7-16(14)19(25)22-15-10-12-24(13-11-15)20(26)23-18-9-5-4-8-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNBJNYWOWCRGIGX-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.24
Rot. Bonds3

About N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 43814168) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID43814168
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC NameN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3OS/c1-14-6-2-3-7-16(14)19(25)22-15-10-12-24(13-11-15)20(26)23-18-9-5-4-8-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNBJNYWOWCRGIGX-UHFFFAOYSA-N
XLogP4.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.24
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-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
CID 3218714
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218722
2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218532
N-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 24792304
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3218721
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide (CID 43814168) is N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is NBJNYWOWCRGIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-14-6-2-3-7-16(14)19(25)22-15-10-12-24(13-11-15)20(26)23-18-9-5-4-8-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 387.94 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 43814168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).