bis[5-(N-methylanilino)thiophen-2-yl]methanone

C23H20N2OS2 — CID 27001424

IUPACbis[5-(N-methylanilino)thiophen-2-yl]methanone
SMILESCN(c1ccccc1)c1ccc(C(=O)c2ccc(N(C)c3ccccc3)s2)s1
InChIInChI=1S/C23H20N2OS2/c1-24(17-9-5-3-6-10-17)21-15-13-19(27-21)23(26)20-14-16-22(28-20)25(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyDXUZTSFYQWDTHG-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.58
Rot. Bonds6

About bis[5-(N-methylanilino)thiophen-2-yl]methanone

bis[5-(N-methylanilino)thiophen-2-yl]methanone (PubChem CID 27001424) has the molecular formula C23H20N2OS2 and a molecular weight of 404.56 g/mol. Its IUPAC name is bis[5-(N-methylanilino)thiophen-2-yl]methanone.

Molecular Properties

Compound Namebis[5-(N-methylanilino)thiophen-2-yl]methanone
PubChem CID27001424
Molecular FormulaC23H20N2OS2
Molecular Weight404.56 g/mol
Exact Mass404.10
IUPAC Namebis[5-(N-methylanilino)thiophen-2-yl]methanone
SMILESCN(c1ccccc1)c1ccc(C(=O)c2ccc(N(C)c3ccccc3)s2)s1
InChIInChI=1S/C23H20N2OS2/c1-24(17-9-5-3-6-10-17)21-15-13-19(27-21)23(26)20-14-16-22(28-20)25(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyDXUZTSFYQWDTHG-UHFFFAOYSA-N
XLogP6.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzoic acid;N-methyl-N-phenylaniline
CID 158055475
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
methyl 5-(dimethylamino)thiophene-2-carboxylate
CID 10773874
ethene;N-methyl-N-phenylaniline
CID 144541479
N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride
CID 140841356
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
(N-methylanilino) propanoate
CID 143653694
2-(5-methoxythiophene-2-carbonyl)benzoic acid
CID 11777477
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
(N-methylanilino) carbamate
CID 175107700

Frequently Asked Questions

What is the IUPAC name of bis[5-(N-methylanilino)thiophen-2-yl]methanone?
The IUPAC name of bis[5-(N-methylanilino)thiophen-2-yl]methanone (CID 27001424) is bis[5-(N-methylanilino)thiophen-2-yl]methanone.
What is the SMILES notation for bis[5-(N-methylanilino)thiophen-2-yl]methanone?
The canonical SMILES for bis[5-(N-methylanilino)thiophen-2-yl]methanone is CN(c1ccccc1)c1ccc(C(=O)c2ccc(N(C)c3ccccc3)s2)s1.
What is the InChIKey of bis[5-(N-methylanilino)thiophen-2-yl]methanone?
The InChIKey is DXUZTSFYQWDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS2/c1-24(17-9-5-3-6-10-17)21-15-13-19(27-21)23(26)20-14-16-22(28-20)25(2)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of bis[5-(N-methylanilino)thiophen-2-yl]methanone?
bis[5-(N-methylanilino)thiophen-2-yl]methanone has a molecular weight of 404.56 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(N-methylanilino)thiophen-2-yl]methanone is sourced from PubChem (CID 27001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).