2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide

C21H25ClN2OS — CID 120553350

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2OS/c1-15-13-23-12-11-19(15)24-20(25)14-26-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,15,19,21,23H,11-14H2,1H3,(H,24,25)
InChIKeyGBBSIJDPWQTSNF-UHFFFAOYSA-N
MW388.96 g/mol
LogP4.28
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120553350) has the molecular formula C21H25ClN2OS and a molecular weight of 388.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120553350
Molecular FormulaC21H25ClN2OS
Molecular Weight388.96 g/mol
Exact Mass388.14
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2OS/c1-15-13-23-12-11-19(15)24-20(25)14-26-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,15,19,21,23H,11-14H2,1H3,(H,24,25)
InChIKeyGBBSIJDPWQTSNF-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-2-phenylpentanamide
CID 120556814
2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554452
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide (CID 120553350) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is GBBSIJDPWQTSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2OS/c1-15-13-23-12-11-19(15)24-20(25)14-26-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,15,19,21,23H,11-14H2,1H3,(H,24,25).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 388.96 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).