4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide

C14H16N2OS — CID 142775988

IUPAC4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2ccsc2)cc1
InChIInChI=1S/C14H16N2OS/c1-16(2)9-11-3-5-12(6-4-11)14(17)15-13-7-8-18-10-13/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyGPXCMBVCHMZWLZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.06
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide

4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide (PubChem CID 142775988) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
PubChem CID142775988
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2ccsc2)cc1
InChIInChI=1S/C14H16N2OS/c1-16(2)9-11-3-5-12(6-4-11)14(17)15-13-7-8-18-10-13/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyGPXCMBVCHMZWLZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-chloro-N-thiophen-3-ylbenzamide
CID 174503980
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
CID 174518113
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
4-[(dimethylamino)methyl]-N-(4-hydroxy-3-nitrophenyl)benzamide
CID 86800547

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide (CID 142775988) is 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide is CN(C)Cc1ccc(C(=O)Nc2ccsc2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide?
The InChIKey is GPXCMBVCHMZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16(2)9-11-3-5-12(6-4-11)14(17)15-13-7-8-18-10-13/h3-8,10H,9H2,1-2H3,(H,15,17).
What are the key properties of 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide?
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide has a molecular weight of 260.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 142775988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).