N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C22H27NOS — CID 18272245

IUPACN-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)cc1
InChIInChI=1S/C22H27NOS/c1-4-7-16-10-12-17(13-11-16)21(15(2)3)23-22(24)20-14-18-8-5-6-9-19(18)25-20/h5-6,8-13,15,20-21H,4,7,14H2,1-3H3,(H,23,24)
InChIKeyUSFGQUOLASPFER-UHFFFAOYSA-N
MW353.53 g/mol
LogP5.17
Rot. Bonds6

About N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18272245) has the molecular formula C22H27NOS and a molecular weight of 353.53 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18272245
Molecular FormulaC22H27NOS
Molecular Weight353.53 g/mol
Exact Mass353.18
IUPAC NameN-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)cc1
InChIInChI=1S/C22H27NOS/c1-4-7-16-10-12-17(13-11-16)21(15(2)3)23-22(24)20-14-18-8-5-6-9-19(18)25-20/h5-6,8-13,15,20-21H,4,7,14H2,1-3H3,(H,23,24)
InChIKeyUSFGQUOLASPFER-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-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

2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid
CID 43354086
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylpentanoic acid
CID 43171234
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 86938358
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103772752
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxybutanoic acid
CID 43170318
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 106355848
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate
CID 43409716

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18272245) is N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CCCc1ccc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is USFGQUOLASPFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NOS/c1-4-7-16-10-12-17(13-11-16)21(15(2)3)23-22(24)20-14-18-8-5-6-9-19(18)25-20/h5-6,8-13,15,20-21H,4,7,14H2,1-3H3,(H,23,24).
What are the key properties of N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 353.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).