3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide

C15H18N2OS — CID 63210486

IUPAC3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCNc1ccc(C(=O)NC(C)c2cccs2)cc1C
InChIInChI=1S/C15H18N2OS/c1-10-9-12(6-7-13(10)16-3)15(18)17-11(2)14-5-4-8-19-14/h4-9,11,16H,1-3H3,(H,17,18)
InChIKeyQAIVIBWOKBFTRF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.59
Rot. Bonds4

About 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide

3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 63210486) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID63210486
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCNc1ccc(C(=O)NC(C)c2cccs2)cc1C
InChIInChI=1S/C15H18N2OS/c1-10-9-12(6-7-13(10)16-3)15(18)17-11(2)14-5-4-8-19-14/h4-9,11,16H,1-3H3,(H,17,18)
InChIKeyQAIVIBWOKBFTRF-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 106347135
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide (CID 63210486) is 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide is CNc1ccc(C(=O)NC(C)c2cccs2)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is QAIVIBWOKBFTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-9-12(6-7-13(10)16-3)15(18)17-11(2)14-5-4-8-19-14/h4-9,11,16H,1-3H3,(H,17,18).
What are the key properties of 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide?
3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 63210486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).