5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one

C15H17ClN2OS — CID 82689662

IUPAC5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCCc3sc(Cl)cc32)ccc1=O
InChIInChI=1S/C15H17ClN2OS/c1-2-18-9-10(6-7-15(18)19)17-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,17H,2-5H2,1H3
InChIKeyVUPCMHQLOYMLAP-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.07
Rot. Bonds3

About 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one

5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one (PubChem CID 82689662) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one
PubChem CID82689662
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCCc3sc(Cl)cc32)ccc1=O
InChIInChI=1S/C15H17ClN2OS/c1-2-18-9-10(6-7-15(18)19)17-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,17H,2-5H2,1H3
InChIKeyVUPCMHQLOYMLAP-UHFFFAOYSA-N
XLogP4.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-propylpyridin-2-one
CID 82012022
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
CID 81251733
1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one
CID 115466360
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
2-chloro-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687709
1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
CID 107682187
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82686736
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686841
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
CID 82690731
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylphenol
CID 82695773
2-chloro-N-(3-chloro-5-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107363949

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one (CID 82689662) is 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one is CCn1cc(NC2CCCc3sc(Cl)cc32)ccc1=O.
What is the InChIKey of 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one?
The InChIKey is VUPCMHQLOYMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-18-9-10(6-7-15(18)19)17-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,17H,2-5H2,1H3.
What are the key properties of 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one?
5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one has a molecular weight of 308.83 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one is sourced from PubChem (CID 82689662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).