3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

C19H24N2OS — CID 40847568

IUPAC3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1C
InChIInChI=1S/C19H24N2OS/c1-14-5-6-16(11-15(14)2)19(22)20-12-18(17-7-10-23-13-17)21-8-3-4-9-21/h5-7,10-11,13,18H,3-4,8-9,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyFIWMFYSVJBEHMF-SFHVURJKSA-N
MW328.48 g/mol
LogP3.93
Rot. Bonds5

About 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (PubChem CID 40847568) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
PubChem CID40847568
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1C
InChIInChI=1S/C19H24N2OS/c1-14-5-6-16(11-15(14)2)19(22)20-12-18(17-7-10-23-13-17)21-8-3-4-9-21/h5-7,10-11,13,18H,3-4,8-9,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyFIWMFYSVJBEHMF-SFHVURJKSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298
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
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (CID 40847568) is 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The InChIKey is FIWMFYSVJBEHMF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-5-6-16(11-15(14)2)19(22)20-12-18(17-7-10-23-13-17)21-8-3-4-9-21/h5-7,10-11,13,18H,3-4,8-9,12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 40847568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).