N-phenylbenzo[g][1]benzothiole-2-carboxamide

C19H13NOS — CID 2825931

IUPACN-phenylbenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3ccccc3c2s1
InChIInChI=1S/C19H13NOS/c21-19(20-15-7-2-1-3-8-15)17-12-14-11-10-13-6-4-5-9-16(13)18(14)22-17/h1-12H,(H,20,21)
InChIKeyMRJHKMFTDSLRQA-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.31
Rot. Bonds2

About N-phenylbenzo[g][1]benzothiole-2-carboxamide

N-phenylbenzo[g][1]benzothiole-2-carboxamide (PubChem CID 2825931) has the molecular formula C19H13NOS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-phenylbenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-phenylbenzo[g][1]benzothiole-2-carboxamide
PubChem CID2825931
Molecular FormulaC19H13NOS
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC NameN-phenylbenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3ccccc3c2s1
InChIInChI=1S/C19H13NOS/c21-19(20-15-7-2-1-3-8-15)17-12-14-11-10-13-6-4-5-9-16(13)18(14)22-17/h1-12H,(H,20,21)
InChIKeyMRJHKMFTDSLRQA-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzothiophene-2-carboxamide
CID 122183774
N-phenyl-1-benzothiophene-2-carboxamide
CID 237071
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11233783
N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11428430
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18376671
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376821
N-hydroxy-6-((phenylamino)methyl)benzo[b]thiophene-2-carboxamide
CID 44440687
2-N-hydroxy-5-N-phenyl-1-benzothiophene-2,5-dicarboxamide
CID 44457049
[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 12402280
N-[4-(2-naphthoylamino)phenyl]thiophene-2-carboxamide
CID 15997480
N-[4-(Propan-2-YL)phenyl]-4H-thieno[3,2-C]thiochromene-2-carboxamide
CID 16011647

Frequently Asked Questions

What is the IUPAC name of N-phenylbenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-phenylbenzo[g][1]benzothiole-2-carboxamide (CID 2825931) is N-phenylbenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-phenylbenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-phenylbenzo[g][1]benzothiole-2-carboxamide is O=C(Nc1ccccc1)c1cc2ccc3ccccc3c2s1.
What is the InChIKey of N-phenylbenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is MRJHKMFTDSLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NOS/c21-19(20-15-7-2-1-3-8-15)17-12-14-11-10-13-6-4-5-9-16(13)18(14)22-17/h1-12H,(H,20,21).
What are the key properties of N-phenylbenzo[g][1]benzothiole-2-carboxamide?
N-phenylbenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 2825931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).