N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide

C23H19Cl2NOS — CID 123251769

IUPACN-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)S3)c1
InChIInChI=1S/C23H19Cl2NOS/c1-2-23(27)26-20-5-3-4-14(11-20)15-6-7-21-16(8-15)12-22(28-21)17-9-18(24)13-19(25)10-17/h3-11,13,22H,2,12H2,1H3,(H,26,27)
InChIKeyIWUMNBQQBTYWRU-UHFFFAOYSA-N
MW428.38 g/mol
LogP7.40
Rot. Bonds4

About N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide

N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide (PubChem CID 123251769) has the molecular formula C23H19Cl2NOS and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide
PubChem CID123251769
Molecular FormulaC23H19Cl2NOS
Molecular Weight428.38 g/mol
Exact Mass427.06
IUPAC NameN-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)S3)c1
InChIInChI=1S/C23H19Cl2NOS/c1-2-23(27)26-20-5-3-4-14(11-20)15-6-7-21-16(8-15)12-22(28-21)17-9-18(24)13-19(25)10-17/h3-11,13,22H,2,12H2,1H3,(H,26,27)
InChIKeyIWUMNBQQBTYWRU-UHFFFAOYSA-N
XLogP7.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide
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3-chloro-N-[3-(propanoylamino)phenyl]propanamide
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N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
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N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
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N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
N-(3,4-diphenylphenyl)propanamide
CID 151136333
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide
CID 17114339
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide (CID 123251769) is N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)S3)c1.
What is the InChIKey of N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide?
The InChIKey is IWUMNBQQBTYWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NOS/c1-2-23(27)26-20-5-3-4-14(11-20)15-6-7-21-16(8-15)12-22(28-21)17-9-18(24)13-19(25)10-17/h3-11,13,22H,2,12H2,1H3,(H,26,27).
What are the key properties of N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide?
N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide has a molecular weight of 428.38 g/mol, XLogP of 7.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dichlorophenyl)-2,3-dihydro-1-benzothiophen-5-yl]phenyl]propanamide is sourced from PubChem (CID 123251769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).