2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

C21H28N2O3S — CID 43006385

IUPAC2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O3S/c1-15-8-10-23(11-9-15)18(20-5-4-12-27-20)14-22-21(24)17-7-6-16(25-2)13-19(17)26-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyUKXMJVRKJJIEHV-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.97
Rot. Bonds7

About 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 43006385) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID43006385
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O3S/c1-15-8-10-23(11-9-15)18(20-5-4-12-27-20)14-22-21(24)17-7-6-16(25-2)13-19(17)26-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyUKXMJVRKJJIEHV-UHFFFAOYSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
CID 8613496
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
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
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553
methyl 2,4-dimethyl-5-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 16595197

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 43006385) is 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is COc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is UKXMJVRKJJIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15-8-10-23(11-9-15)18(20-5-4-12-27-20)14-22-21(24)17-7-6-16(25-2)13-19(17)26-3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,22,24).
What are the key properties of 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 43006385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).