N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide

C17H16N2OS — CID 65450538

IUPACN-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-18-14-5-3-12(4-6-14)17(20)19-15-7-8-16-13(11-15)9-10-21-16/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyMHPRNXXQJXADFZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.59
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide

N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide (PubChem CID 65450538) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
PubChem CID65450538
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-18-14-5-3-12(4-6-14)17(20)19-15-7-8-16-13(11-15)9-10-21-16/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyMHPRNXXQJXADFZ-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23796811
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
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3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
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CID 107951910
3-(1-benzothiophen-5-ylamino)-2,2-dimethyl-3-oxopropanoic acid
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N-(1-benzothiophen-5-yl)-2-oxo-1H-pyridine-4-carboxamide
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CID 71038629

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide (CID 65450538) is N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide is CCNc1ccc(C(=O)Nc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide?
The InChIKey is MHPRNXXQJXADFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-18-14-5-3-12(4-6-14)17(20)19-15-7-8-16-13(11-15)9-10-21-16/h3-11,18H,2H2,1H3,(H,19,20).
What are the key properties of N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide?
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide has a molecular weight of 296.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide is sourced from PubChem (CID 65450538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).