1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide

C34H32N2O3S2 — CID 102186947

IUPAC1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCCCCCCc2ccsc2-c2cccs2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C34H32N2O3S2/c37-33(35-28-13-6-3-7-14-28)26-22-27(34(38)36-29-15-8-4-9-16-29)24-30(23-26)39-19-10-2-1-5-12-25-18-21-41-32(25)31-17-11-20-40-31/h3-4,6-9,11,13-18,20-24H,1-2,5,10,12,19H2,(H,35,37)(H,36,38)
InChIKeyVRAQBWMYKKNYCP-UHFFFAOYSA-N
MW580.78 g/mol
LogP9.16
Rot. Bonds13

About 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide

1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide (PubChem CID 102186947) has the molecular formula C34H32N2O3S2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide
PubChem CID102186947
Molecular FormulaC34H32N2O3S2
Molecular Weight580.78 g/mol
Exact Mass580.19
IUPAC Name1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCCCCCCc2ccsc2-c2cccs2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C34H32N2O3S2/c37-33(35-28-13-6-3-7-14-28)26-22-27(34(38)36-29-15-8-4-9-16-29)24-30(23-26)39-19-10-2-1-5-12-25-18-21-41-32(25)31-17-11-20-40-31/h3-4,6-9,11,13-18,20-24H,1-2,5,10,12,19H2,(H,35,37)(H,36,38)
InChIKeyVRAQBWMYKKNYCP-UHFFFAOYSA-N
XLogP9.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 59.16
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

5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxylic acid
CID 102186946
3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene
CID 86247160
2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene
CID 100949175
dimethyl 5-(6-phenylhexoxy)benzene-1,3-dicarboxylate
CID 19930284
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
CID 118047320
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide (CID 102186947) is 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide is O=C(Nc1ccccc1)c1cc(OCCCCCCc2ccsc2-c2cccs2)cc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide?
The InChIKey is VRAQBWMYKKNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3S2/c37-33(35-28-13-6-3-7-14-28)26-22-27(34(38)36-29-15-8-4-9-16-29)24-30(23-26)39-19-10-2-1-5-12-25-18-21-41-32(25)31-17-11-20-40-31/h3-4,6-9,11,13-18,20-24H,1-2,5,10,12,19H2,(H,35,37)(H,36,38).
What are the key properties of 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide?
1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide has a molecular weight of 580.78 g/mol, XLogP of 9.16, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide is sourced from PubChem (CID 102186947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).