5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C19H23ClN2O2S — CID 90522639

IUPAC5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-24-17-5-4-15(20)13-16(17)19(23)21-8-11-22-9-6-14(7-10-22)18-3-2-12-25-18/h2-5,12-14H,6-11H2,1H3,(H,21,23)
InChIKeyOTPLBCORDYNPCF-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.02
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 90522639) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID90522639
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-24-17-5-4-15(20)13-16(17)19(23)21-8-11-22-9-6-14(7-10-22)18-3-2-12-25-18/h2-5,12-14H,6-11H2,1H3,(H,21,23)
InChIKeyOTPLBCORDYNPCF-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787116
1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 90522639) is 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is OTPLBCORDYNPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-24-17-5-4-15(20)13-16(17)19(23)21-8-11-22-9-6-14(7-10-22)18-3-2-12-25-18/h2-5,12-14H,6-11H2,1H3,(H,21,23).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 378.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90522639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).