N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide

C21H27N3O4S — CID 9482610

IUPACN-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)CNC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C21H27N3O4S/c1-14-10-15(2)16(3)17(11-14)28-8-5-7-22-19(25)12-23-20(26)13-24-21(27)18-6-4-9-29-18/h4,6,9-11H,5,7-8,12-13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYEYYZRBJEONRJO-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.10
Rot. Bonds10

About N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 9482610) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID9482610
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)CNC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C21H27N3O4S/c1-14-10-15(2)16(3)17(11-14)28-8-5-7-22-19(25)12-23-20(26)13-24-21(27)18-6-4-9-29-18/h4,6,9-11H,5,7-8,12-13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYEYYZRBJEONRJO-UHFFFAOYSA-N
XLogP2.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 24637880
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide (CID 9482610) is N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide is Cc1cc(C)c(C)c(OCCCNC(=O)CNC(=O)CNC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is YEYYZRBJEONRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-10-15(2)16(3)17(11-14)28-8-5-7-22-19(25)12-23-20(26)13-24-21(27)18-6-4-9-29-18/h4,6,9-11H,5,7-8,12-13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9482610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).