3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide

C22H30N2O3S — CID 16931298

IUPAC3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccsc2)N2CCCCC2)cc1OCC
InChIInChI=1S/C22H30N2O3S/c1-3-26-20-9-8-17(14-21(20)27-4-2)22(25)23-15-19(18-10-13-28-16-18)24-11-6-5-7-12-24/h8-10,13-14,16,19H,3-7,11-12,15H2,1-2H3,(H,23,25)
InChIKeyCTWCRMKUSXNZNL-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.50
Rot. Bonds9

About 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide

3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931298) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931298
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccsc2)N2CCCCC2)cc1OCC
InChIInChI=1S/C22H30N2O3S/c1-3-26-20-9-8-17(14-21(20)27-4-2)22(25)23-15-19(18-10-13-28-16-18)24-11-6-5-7-12-24/h8-10,13-14,16,19H,3-7,11-12,15H2,1-2H3,(H,23,25)
InChIKeyCTWCRMKUSXNZNL-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931298) is 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide is CCOc1ccc(C(=O)NCC(c2ccsc2)N2CCCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is CTWCRMKUSXNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-26-20-9-8-17(14-21(20)27-4-2)22(25)23-15-19(18-10-13-28-16-18)24-11-6-5-7-12-24/h8-10,13-14,16,19H,3-7,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 402.56 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).