3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide

C18H15Cl2NOS — CID 2931377

IUPAC3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide
SMILESCCC(NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1
InChIInChI=1S/C18H15Cl2NOS/c1-2-13(11-7-4-3-5-8-11)21-18(22)17-16(20)15-12(19)9-6-10-14(15)23-17/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeyCGUCZWSMIGOMDG-UHFFFAOYSA-N
MW364.30 g/mol
LogP6.09
Rot. Bonds4

About 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 2931377) has the molecular formula C18H15Cl2NOS and a molecular weight of 364.30 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID2931377
Molecular FormulaC18H15Cl2NOS
Molecular Weight364.30 g/mol
Exact Mass363.03
IUPAC Name3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide
SMILESCCC(NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1
InChIInChI=1S/C18H15Cl2NOS/c1-2-13(11-7-4-3-5-8-11)21-18(22)17-16(20)15-12(19)9-6-10-14(15)23-17/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeyCGUCZWSMIGOMDG-UHFFFAOYSA-N
XLogP6.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3-chloro-N-[(1R)-2-(4-methylphenyl)-1-phenylethyl]-1-benzothiophene-2-carboxamide
CID 92772785
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
2-amino-8-chloro-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide
CID 59253091
(3R)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7298219
3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
CID 85498486
3-amino-4-chloro-N-[1-(dimethylamino)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 82950351
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
3-chloro-6-fluoro-N-[1-(4-methoxyphenyl)propyl]-1-benzothiophene-2-carboxamide
CID 16559430

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide (CID 2931377) is 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide is CCC(NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CGUCZWSMIGOMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NOS/c1-2-13(11-7-4-3-5-8-11)21-18(22)17-16(20)15-12(19)9-6-10-14(15)23-17/h3-10,13H,2H2,1H3,(H,21,22).
What are the key properties of 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2931377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).