N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide

C14H16N2OS — CID 110471616

IUPACN-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccccc1CNC(=O)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-16(2)12-7-4-3-6-11(12)10-15-14(17)13-8-5-9-18-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIWXKKDGHIRLPBQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.74
Rot. Bonds4

About N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide

N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 110471616) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
PubChem CID110471616
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccccc1CNC(=O)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-16(2)12-7-4-3-6-11(12)10-15-14(17)13-8-5-9-18-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIWXKKDGHIRLPBQ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide (CID 110471616) is N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide is CN(C)c1ccccc1CNC(=O)c1cccs1.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is IWXKKDGHIRLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16(2)12-7-4-3-6-11(12)10-15-14(17)13-8-5-9-18-13/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide?
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110471616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).