2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide

C24H26N2O4S — CID 2227968

IUPAC2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc(C(=O)NCCOc2ccccc2C)s1
InChIInChI=1S/C24H26N2O4S/c1-17-7-3-5-9-19(17)29-15-13-25-23(27)21-11-12-22(31-21)24(28)26-14-16-30-20-10-6-4-8-18(20)2/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGELVOXWQBICXPJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.98
Rot. Bonds10

About 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide

2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide (PubChem CID 2227968) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
PubChem CID2227968
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc(C(=O)NCCOc2ccccc2C)s1
InChIInChI=1S/C24H26N2O4S/c1-17-7-3-5-9-19(17)29-15-13-25-23(27)21-11-12-22(31-21)24(28)26-14-16-30-20-10-6-4-8-18(20)2/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGELVOXWQBICXPJ-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
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-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
N-[2-(2-methylphenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87031750
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide (CID 2227968) is 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide is Cc1ccccc1OCCNC(=O)c1ccc(C(=O)NCCOc2ccccc2C)s1.
What is the InChIKey of 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide?
The InChIKey is GELVOXWQBICXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-7-3-5-9-19(17)29-15-13-25-23(27)21-11-12-22(31-21)24(28)26-14-16-30-20-10-6-4-8-18(20)2/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide?
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 2227968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).