N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide

C18H17NOS2 — CID 171136942

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(Cc1csc2ccccc12)NC(=O)C=Cc1ccsc1
InChIInChI=1S/C18H17NOS2/c1-13(19-18(20)7-6-14-8-9-21-11-14)10-15-12-22-17-5-3-2-4-16(15)17/h2-9,11-13H,10H2,1H3,(H,19,20)
InChIKeyRATNPUGDKRBCQM-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.72
Rot. Bonds5

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 171136942) has the molecular formula C18H17NOS2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
PubChem CID171136942
Molecular FormulaC18H17NOS2
Molecular Weight327.47 g/mol
Exact Mass327.08
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(Cc1csc2ccccc12)NC(=O)C=Cc1ccsc1
InChIInChI=1S/C18H17NOS2/c1-13(19-18(20)7-6-14-8-9-21-11-14)10-15-12-22-17-5-3-2-4-16(15)17/h2-9,11-13H,10H2,1H3,(H,19,20)
InChIKeyRATNPUGDKRBCQM-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide
CID 143043731
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide (CID 171136942) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide is CC(Cc1csc2ccccc12)NC(=O)C=Cc1ccsc1.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is RATNPUGDKRBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS2/c1-13(19-18(20)7-6-14-8-9-21-11-14)10-15-12-22-17-5-3-2-4-16(15)17/h2-9,11-13H,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 327.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 171136942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).