(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

C24H31N3O2S — CID 95109021

IUPAC(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C24H31N3O2S/c1-26(2)24(29)22-15-19-14-18(8-9-21(19)30-22)23(28)25-20-10-12-27(13-11-20)16-17-6-4-3-5-7-17/h3-7,15,18,20H,8-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyMJGHDUQPIPPBRU-SFHVURJKSA-N
MW425.60 g/mol
LogP3.34
Rot. Bonds5

About (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (PubChem CID 95109021) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
PubChem CID95109021
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C24H31N3O2S/c1-26(2)24(29)22-15-19-14-18(8-9-21(19)30-22)23(28)25-20-10-12-27(13-11-20)16-17-6-4-3-5-7-17/h3-7,15,18,20H,8-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyMJGHDUQPIPPBRU-SFHVURJKSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide 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

5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187983
5-N-(2-ethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187998
(5S)-5-N-cyclohexyl-2-N,2-N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95108701
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
5-N-[(3-ethoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53188035
(5S)-5-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109013
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(5R)-N-cyclohexyl-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95109208
N-(2-phenylethyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 71836483
N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800308
N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20892964

Frequently Asked Questions

What is the IUPAC name of (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (CID 95109021) is (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is MJGHDUQPIPPBRU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-26(2)24(29)22-15-19-14-18(8-9-21(19)30-22)23(28)25-20-10-12-27(13-11-20)16-17-6-4-3-5-7-17/h3-7,15,18,20H,8-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
(5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 425.60 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 95109021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).