N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide

C17H22N2OS — CID 134022174

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-9-10-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyOKYWVAHBMUIJBT-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.52
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 134022174) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID134022174
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-9-10-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyOKYWVAHBMUIJBT-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 31942147
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111938865
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide (CID 134022174) is N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccsc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is OKYWVAHBMUIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-9-10-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 134022174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).