N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C17H18ClNOS — CID 112790260

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H18ClNOS/c1-19(11-13-7-2-4-8-14(13)18)17(20)16-10-12-6-3-5-9-15(12)21-16/h2,4,7-8,10H,3,5-6,9,11H2,1H3
InChIKeyNAWDGNFMVPFYBP-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.55
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 112790260) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID112790260
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H18ClNOS/c1-19(11-13-7-2-4-8-14(13)18)17(20)16-10-12-6-3-5-9-15(12)21-16/h2,4,7-8,10H,3,5-6,9,11H2,1H3
InChIKeyNAWDGNFMVPFYBP-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24553211
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78802983
methyl 2-methyl-5-[[methyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484232

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 112790260) is N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is NAWDGNFMVPFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-19(11-13-7-2-4-8-14(13)18)17(20)16-10-12-6-3-5-9-15(12)21-16/h2,4,7-8,10H,3,5-6,9,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 319.86 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112790260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).