[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone

C23H17NO2S — CID 58795723

IUPAC[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cc2ccc(C(=O)c3ccccc3)s2)[nH]1
InChIInChI=1S/C23H17NO2S/c25-22(16-7-3-1-4-8-16)20-13-11-18(24-20)15-19-12-14-21(27-19)23(26)17-9-5-2-6-10-17/h1-14,24H,15H2
InChIKeyANZQPBYXRSEULG-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.13
Rot. Bonds6

About [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone

[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 58795723) has the molecular formula C23H17NO2S and a molecular weight of 371.46 g/mol. Its IUPAC name is [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID58795723
Molecular FormulaC23H17NO2S
Molecular Weight371.46 g/mol
Exact Mass371.10
IUPAC Name[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cc2ccc(C(=O)c3ccccc3)s2)[nH]1
InChIInChI=1S/C23H17NO2S/c25-22(16-7-3-1-4-8-16)20-13-11-18(24-20)15-19-12-14-21(27-19)23(26)17-9-5-2-6-10-17/h1-14,24H,15H2
InChIKeyANZQPBYXRSEULG-UHFFFAOYSA-N
XLogP5.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
CID 90613154
bis(5-benzoyl-1H-pyrrol-2-yl) propanedioate
CID 67899612
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
5-benzylthiophene-2-carbonyl chloride
CID 175504099
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613246

Frequently Asked Questions

What is the IUPAC name of [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone (CID 58795723) is [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Cc2ccc(C(=O)c3ccccc3)s2)[nH]1.
What is the InChIKey of [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is ANZQPBYXRSEULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2S/c25-22(16-7-3-1-4-8-16)20-13-11-18(24-20)15-19-12-14-21(27-19)23(26)17-9-5-2-6-10-17/h1-14,24H,15H2.
What are the key properties of [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 371.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 58795723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).