5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide

C16H13N3O2S — CID 139568442

IUPAC5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C16H13N3O2S/c17-10-5-6-13-9(7-10)8-14(22-13)16(21)19-12-4-2-1-3-11(12)15(18)20/h1-8H,17H2,(H2,18,20)(H,19,21)
InChIKeyROZSTIBLUPTMID-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.83
Rot. Bonds3

About 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 139568442) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID139568442
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C16H13N3O2S/c17-10-5-6-13-9(7-10)8-14(22-13)16(21)19-12-4-2-1-3-11(12)15(18)20/h1-8H,17H2,(H2,18,20)(H,19,21)
InChIKeyROZSTIBLUPTMID-UHFFFAOYSA-N
XLogP2.83
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.83
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

5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 103477175
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 61393369
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 61094116
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
5-amino-1-benzothiophene-2-carbonyl chloride
CID 18523489

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide (CID 139568442) is 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide is NC(=O)c1ccccc1NC(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ROZSTIBLUPTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-10-5-6-13-9(7-10)8-14(22-13)16(21)19-12-4-2-1-3-11(12)15(18)20/h1-8H,17H2,(H2,18,20)(H,19,21).
What are the key properties of 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 139568442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).