3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

C19H23ClN2O2S — CID 17013147

IUPAC3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1Cl
InChIInChI=1S/C19H23ClN2O2S/c1-24-17-8-7-14(12-15(17)20)19(23)21-13-16(18-6-5-11-25-18)22-9-3-2-4-10-22/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,21,23)
InChIKeyOVGJXQQDZUTTCE-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.37
Rot. Bonds6

About 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17013147) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17013147
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1Cl
InChIInChI=1S/C19H23ClN2O2S/c1-24-17-8-7-14(12-15(17)20)19(23)21-13-16(18-6-5-11-25-18)22-9-3-2-4-10-22/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,21,23)
InChIKeyOVGJXQQDZUTTCE-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 17013147) is 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is COc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is OVGJXQQDZUTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-24-17-8-7-14(12-15(17)20)19(23)21-13-16(18-6-5-11-25-18)22-9-3-2-4-10-22/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,21,23).
What are the key properties of 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 378.93 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).