N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C15H18N2O2S — CID 95136559

IUPACN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESC[C@H](c1ccon1)N(C)C(=O)c1scc2c1CCCC2
InChIInChI=1S/C15H18N2O2S/c1-10(13-7-8-19-16-13)17(2)15(18)14-12-6-4-3-5-11(12)9-20-14/h7-10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyWNYWUAVPQOJCFZ-SNVBAGLBSA-N
MW290.39 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 95136559) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID95136559
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESC[C@H](c1ccon1)N(C)C(=O)c1scc2c1CCCC2
InChIInChI=1S/C15H18N2O2S/c1-10(13-7-8-19-16-13)17(2)15(18)14-12-6-4-3-5-11(12)9-20-14/h7-10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyWNYWUAVPQOJCFZ-SNVBAGLBSA-N
XLogP3.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-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-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581
2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
CID 126432024
N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50973272
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26337682
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97116777
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45208387

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 95136559) is N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is C[C@H](c1ccon1)N(C)C(=O)c1scc2c1CCCC2.
What is the InChIKey of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is WNYWUAVPQOJCFZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(13-7-8-19-16-13)17(2)15(18)14-12-6-4-3-5-11(12)9-20-14/h7-10H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 95136559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).