N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C18H21N3O2S — CID 95146737

IUPACN-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1ccccn1
InChIInChI=1S/C18H21N3O2S/c1-12(14-7-4-5-9-19-14)21-17(22)11-20-18(23)16-10-13-6-2-3-8-15(13)24-16/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyVUDNPCBOTFHCPS-LBPRGKRZSA-N
MW343.45 g/mol
LogP2.63
Rot. Bonds5

About N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 95146737) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID95146737
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1ccccn1
InChIInChI=1S/C18H21N3O2S/c1-12(14-7-4-5-9-19-14)21-17(22)11-20-18(23)16-10-13-6-2-3-8-15(13)24-16/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyVUDNPCBOTFHCPS-LBPRGKRZSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide 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

N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86882621
(2S)-2-[[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)acetyl]amino]-4-methylpentanoic acid
CID 120695133
3-hydroxy-N-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 56804721
N-(pyrimidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 166229920
N-[(1R)-1-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40551890
N-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64997058
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-chloro-N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 40713816
N-(4-hydroxy-2-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 66106403

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 95146737) is N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is C[C@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1ccccn1.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is VUDNPCBOTFHCPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(14-7-4-5-9-19-14)21-17(22)11-20-18(23)16-10-13-6-2-3-8-15(13)24-16/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95146737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).