N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H18N2O2S — CID 5127938

IUPACN-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-4-6-13(7-5-12)8-9-17-15(19)11-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyISDAWRSDBIKNQC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.15
Rot. Bonds6

About N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 5127938) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID5127938
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-4-6-13(7-5-12)8-9-17-15(19)11-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyISDAWRSDBIKNQC-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 5127938) is N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ISDAWRSDBIKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-6-13(7-5-12)8-9-17-15(19)11-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5127938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).