2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

C20H26N2O4S — CID 16931575

IUPAC2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccsc2)N2CCCC2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4S/c1-24-17-7-6-15(18(25-2)19(17)26-3)20(23)21-12-16(14-8-11-27-13-14)22-9-4-5-10-22/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,21,23)
InChIKeyNZFDQLDAKKGZGK-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.34
Rot. Bonds8

About 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931575) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931575
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccsc2)N2CCCC2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4S/c1-24-17-7-6-15(18(25-2)19(17)26-3)20(23)21-12-16(14-8-11-27-13-14)22-9-4-5-10-22/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,21,23)
InChIKeyNZFDQLDAKKGZGK-UHFFFAOYSA-N
XLogP3.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 29235413
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
1-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 30606381
[2-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamoyl]phenyl] acetate
CID 16931836
2,3,4-trimethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42217682
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
CID 16931867
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813433
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931575) is 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is COc1ccc(C(=O)NCC(c2ccsc2)N2CCCC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is NZFDQLDAKKGZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-24-17-7-6-15(18(25-2)19(17)26-3)20(23)21-12-16(14-8-11-27-13-14)22-9-4-5-10-22/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).