3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide

C15H18N2OS — CID 110660161

IUPAC3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N(C)C)c2)sc1C
InChIInChI=1S/C15H18N2OS/c1-10-8-14(19-11(10)2)16-15(18)12-6-5-7-13(9-12)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyNZFVHSAEOYUSMR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.68
Rot. Bonds3

About 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide

3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide (PubChem CID 110660161) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
PubChem CID110660161
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N(C)C)c2)sc1C
InChIInChI=1S/C15H18N2OS/c1-10-8-14(19-11(10)2)16-15(18)12-6-5-7-13(9-12)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyNZFVHSAEOYUSMR-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide (CID 110660161) is 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide is Cc1cc(NC(=O)c2cccc(N(C)C)c2)sc1C.
What is the InChIKey of 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide?
The InChIKey is NZFVHSAEOYUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-8-14(19-11(10)2)16-15(18)12-6-5-7-13(9-12)17(3)4/h5-9H,1-4H3,(H,16,18).
What are the key properties of 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide?
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide is sourced from PubChem (CID 110660161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).