2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide

C17H15N3O2S — CID 142955391

IUPAC2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1csc2ccccc12
InChIInChI=1S/C17H15N3O2S/c18-14-7-3-1-6-13(14)16(21)20-17(22)19-9-11-10-23-15-8-4-2-5-12(11)15/h1-8,10H,9,18H2,(H2,19,20,21,22)
InChIKeyLDIVVZZHYDPQQF-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide

2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide (PubChem CID 142955391) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
PubChem CID142955391
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1csc2ccccc12
InChIInChI=1S/C17H15N3O2S/c18-14-7-3-1-6-13(14)16(21)20-17(22)19-9-11-10-23-15-8-4-2-5-12(11)15/h1-8,10H,9,18H2,(H2,19,20,21,22)
InChIKeyLDIVVZZHYDPQQF-UHFFFAOYSA-N
XLogP3.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide
CID 166202482
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
CID 142955436
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 166233157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide?
The IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide (CID 142955391) is 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide.
What is the SMILES notation for 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide?
The canonical SMILES for 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide is Nc1ccccc1C(=O)NC(=O)NCc1csc2ccccc12.
What is the InChIKey of 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide?
The InChIKey is LDIVVZZHYDPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-14-7-3-1-6-13(14)16(21)20-17(22)19-9-11-10-23-15-8-4-2-5-12(11)15/h1-8,10H,9,18H2,(H2,19,20,21,22).
What are the key properties of 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide?
2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide is sourced from PubChem (CID 142955391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).