2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide

C34H62N2O2S — CID 177491434

IUPAC2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
SMILESCCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)NCCCCCCCCCCCCCC)s1
InChIInChI=1S/C34H62N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-33(37)31-27-28-32(39-31)34(38)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyPMBZIPSVPXWSGB-UHFFFAOYSA-N
MW562.95 g/mol
LogP10.61
Rot. Bonds28

About 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide

2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide (PubChem CID 177491434) has the molecular formula C34H62N2O2S and a molecular weight of 562.95 g/mol. Its IUPAC name is 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
PubChem CID177491434
Molecular FormulaC34H62N2O2S
Molecular Weight562.95 g/mol
Exact Mass562.45
IUPAC Name2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
SMILESCCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)NCCCCCCCCCCCCCC)s1
InChIInChI=1S/C34H62N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-33(37)31-27-28-32(39-31)34(38)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyPMBZIPSVPXWSGB-UHFFFAOYSA-N
XLogP10.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.95
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
CID 10340189
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
N-decyl-4-hydroxybenzamide
CID 15277871

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide (CID 177491434) is 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide is CCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)NCCCCCCCCCCCCCC)s1.
What is the InChIKey of 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide?
The InChIKey is PMBZIPSVPXWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-33(37)31-27-28-32(39-31)34(38)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide?
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide has a molecular weight of 562.95 g/mol, XLogP of 10.61, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 177491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).