N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide

C19H25N3O2S — CID 5127937

IUPACN-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CCCNC(=O)CNC(=O)c1cccs1)c1cccc(C)c1
InChIInChI=1S/C19H25N3O2S/c1-3-22(16-8-4-7-15(2)13-16)11-6-10-20-18(23)14-21-19(24)17-9-5-12-25-17/h4-5,7-9,12-13H,3,6,10-11,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIDFOFMBBCAFQTD-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.82
Rot. Bonds9

About N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 5127937) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID5127937
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CCCNC(=O)CNC(=O)c1cccs1)c1cccc(C)c1
InChIInChI=1S/C19H25N3O2S/c1-3-22(16-8-4-7-15(2)13-16)11-6-10-20-18(23)14-21-19(24)17-9-5-12-25-17/h4-5,7-9,12-13H,3,6,10-11,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIDFOFMBBCAFQTD-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 46673965
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27754119
2-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111330654
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9482610

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 5127937) is N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide is CCN(CCCNC(=O)CNC(=O)c1cccs1)c1cccc(C)c1.
What is the InChIKey of N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is IDFOFMBBCAFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-22(16-8-4-7-15(2)13-16)11-6-10-20-18(23)14-21-19(24)17-9-5-12-25-17/h4-5,7-9,12-13H,3,6,10-11,14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5127937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).