1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone

C28H21NOS — CID 12067400

IUPAC1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c(N(c2ccccc2)c2cccc3ccccc23)s1
InChIInChI=1S/C28H21NOS/c1-20(30)27-19-25(22-11-4-2-5-12-22)28(31-27)29(23-15-6-3-7-16-23)26-18-10-14-21-13-8-9-17-24(21)26/h2-19H,1H3
InChIKeyYZSIUDOAANWIPC-UHFFFAOYSA-N
MW419.55 g/mol
LogP8.24
Rot. Bonds5

About 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone

1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone (PubChem CID 12067400) has the molecular formula C28H21NOS and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone
PubChem CID12067400
Molecular FormulaC28H21NOS
Molecular Weight419.55 g/mol
Exact Mass419.13
IUPAC Name1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c(N(c2ccccc2)c2cccc3ccccc23)s1
InChIInChI=1S/C28H21NOS/c1-20(30)27-19-25(22-11-4-2-5-12-22)28(31-27)29(23-15-6-3-7-16-23)26-18-10-14-21-13-8-9-17-24(21)26/h2-19H,1H3
InChIKeyYZSIUDOAANWIPC-UHFFFAOYSA-N
XLogP8.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenylnaphthalen-1-amine
CID 11392281
[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 27162338
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
bis[3,5-bis(N-naphthalen-1-ylanilino)phenyl]methanone
CID 58240005
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
3-N,3-N-dimethyl-1-N-naphthalen-1-yl-1-N,4-diphenylbenzene-1,3-diamine;methane
CID 174429724

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone (CID 12067400) is 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone is CC(=O)c1cc(-c2ccccc2)c(N(c2ccccc2)c2cccc3ccccc23)s1.
What is the InChIKey of 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone?
The InChIKey is YZSIUDOAANWIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NOS/c1-20(30)27-19-25(22-11-4-2-5-12-22)28(31-27)29(23-15-6-3-7-16-23)26-18-10-14-21-13-8-9-17-24(21)26/h2-19H,1H3.
What are the key properties of 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone?
1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone has a molecular weight of 419.55 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone is sourced from PubChem (CID 12067400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).