2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H30N2O2S — CID 4608674

IUPAC2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C24H30N2O2S/c1-16-13-14-19-20(15-16)29-23(25-22(27)17-9-5-3-6-10-17)21(19)24(28)26(2)18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,25,27)
InChIKeyJRAJUFBBBGTBIR-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.53
Rot. Bonds4

About 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 4608674) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID4608674
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C24H30N2O2S/c1-16-13-14-19-20(15-16)29-23(25-22(27)17-9-5-3-6-10-17)21(19)24(28)26(2)18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,25,27)
InChIKeyJRAJUFBBBGTBIR-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2792088
2-benzamido-N,N-bis(2-methoxyethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4608583
2-benzamido-N-(2-hydroxyethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3371781
(6S)-N,N,6-trimethyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1037574
2-benzamido-N-(3-chlorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5116035
(6R)-2-[(4-bromobenzoyl)amino]-6-methyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40734012
N-[(6R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 7673722
methyl 4-[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
CID 4604595
N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 4608667
(6R)-2-[[4-(dimethylamino)benzoyl]amino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474934
(6R)-N,6-dimethyl-2-[(4-phenoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474928
(6S)-N,N-diethyl-6-methyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1372032

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 4608674) is 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N(C)C2CCCCC2)C1.
What is the InChIKey of 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is JRAJUFBBBGTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-16-13-14-19-20(15-16)29-23(25-22(27)17-9-5-3-6-10-17)21(19)24(28)26(2)18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,25,27).
What are the key properties of 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-cyclohexyl-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 4608674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).