5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide

C15H21ClN2OS — CID 120575162

IUPAC5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C15H21ClN2OS/c1-3-20-14-7-6-11(16)9-12(14)15(19)18-13-5-4-8-17-10(13)2/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyPICNBLBVSWXTLP-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.32
Rot. Bonds4

About 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide

5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120575162) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120575162
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C15H21ClN2OS/c1-3-20-14-7-6-11(16)9-12(14)15(19)18-13-5-4-8-17-10(13)2/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyPICNBLBVSWXTLP-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
5-chloro-N-(2-methylpiperidin-3-yl)-2-(tetrazol-1-yl)benzamide
CID 120576545
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
CID 120576271
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide (CID 120575162) is 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide is CCSc1ccc(Cl)cc1C(=O)NC1CCCNC1C.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is PICNBLBVSWXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-3-20-14-7-6-11(16)9-12(14)15(19)18-13-5-4-8-17-10(13)2/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide?
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 312.87 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120575162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).