2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide

C21H29N3O2S — CID 10340189

IUPAC2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C21H29N3O2S/c1-2-3-4-5-6-7-10-15-23-20(25)18-13-14-19(27-18)21(26)24-17-12-9-8-11-16(17)22/h8-9,11-14H,2-7,10,15,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyZTMJLGBAJJAACY-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.06
Rot. Bonds11

About 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide

2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide (PubChem CID 10340189) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
PubChem CID10340189
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C21H29N3O2S/c1-2-3-4-5-6-7-10-15-23-20(25)18-13-14-19(27-18)21(26)24-17-12-9-8-11-16(17)22/h8-9,11-14H,2-7,10,15,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyZTMJLGBAJJAACY-UHFFFAOYSA-N
XLogP5.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
1-(2-aminophenyl)-3-nonylurea
CID 177454724
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
2-amino-N-dodecylbenzamide
CID 54099396
N-(2-aminophenyl)octadecanamide
CID 68839220
2,3-diamino-N-hexadecylbenzamide
CID 68850287
N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
CID 10044082
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
2-N-oct-1-en-2-ylbenzene-1,2-diamine
CID 145023229

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide (CID 10340189) is 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide is CCCCCCCCCNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide?
The InChIKey is ZTMJLGBAJJAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-2-3-4-5-6-7-10-15-23-20(25)18-13-14-19(27-18)21(26)24-17-12-9-8-11-16(17)22/h8-9,11-14H,2-7,10,15,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide has a molecular weight of 387.55 g/mol, XLogP of 5.06, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 10340189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).