N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide

C15H19N3OS — CID 112981287

IUPACN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCNc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-18(2)10-9-16-12-5-7-13(8-6-12)17-15(19)14-4-3-11-20-14/h3-8,11,16H,9-10H2,1-2H3,(H,17,19)
InChIKeyTUKJUDVEXKDWPZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.97
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide

N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide (PubChem CID 112981287) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
PubChem CID112981287
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCNc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-18(2)10-9-16-12-5-7-13(8-6-12)17-15(19)14-4-3-11-20-14/h3-8,11,16H,9-10H2,1-2H3,(H,17,19)
InChIKeyTUKJUDVEXKDWPZ-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
CID 112981528
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 51189018
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide (CID 112981287) is N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide is CN(C)CCNc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is TUKJUDVEXKDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(2)10-9-16-12-5-7-13(8-6-12)17-15(19)14-4-3-11-20-14/h3-8,11,16H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide?
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112981287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).