[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone

C19H17NOS — CID 3732236

IUPAC[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H17NOS/c1-20(2)19-16(14-9-5-3-6-10-14)13-17(22-19)18(21)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeySSSGOPVROFQBGC-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.71
Rot. Bonds4

About [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone

[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone (PubChem CID 3732236) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
PubChem CID3732236
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H17NOS/c1-20(2)19-16(14-9-5-3-6-10-14)13-17(22-19)18(21)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeySSSGOPVROFQBGC-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 27162338
[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
CID 102363758
N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide
CID 20823378
[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
CID 132849028
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone
CID 102480096
(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
CID 91881860
1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone
CID 12067400
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone (CID 3732236) is [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone is CN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone?
The InChIKey is SSSGOPVROFQBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-20(2)19-16(14-9-5-3-6-10-14)13-17(22-19)18(21)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone?
[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone has a molecular weight of 307.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 3732236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).