N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H23NOS — CID 20881776

IUPACN-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C19H23NOS/c1-2-15(12-14-8-4-3-5-9-14)20-19(21)17-13-22-18-11-7-6-10-16(17)18/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21)
InChIKeyUBDHUCQNNFWTJO-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.38
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 20881776) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID20881776
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C19H23NOS/c1-2-15(12-14-8-4-3-5-9-14)20-19(21)17-13-22-18-11-7-6-10-16(17)18/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21)
InChIKeyUBDHUCQNNFWTJO-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 20881776) is N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCC(Cc1ccccc1)NC(=O)c1csc2c1CCCC2.
What is the InChIKey of N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is UBDHUCQNNFWTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-2-15(12-14-8-4-3-5-9-14)20-19(21)17-13-22-18-11-7-6-10-16(17)18/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 20881776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).