2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide

C16H19N3O2S — CID 10335977

IUPAC2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C16H19N3O2S/c1-10(2)9-18-15(20)13-7-8-14(22-13)16(21)19-12-6-4-3-5-11(12)17/h3-8,10H,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZKLDETCTQQTNRR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds5

About 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide

2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide (PubChem CID 10335977) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
PubChem CID10335977
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C16H19N3O2S/c1-10(2)9-18-15(20)13-7-8-14(22-13)16(21)19-12-6-4-3-5-11(12)17/h3-8,10H,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZKLDETCTQQTNRR-UHFFFAOYSA-N
XLogP2.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
CID 10340189
2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
CID 10339400
N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
CID 10044082
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 52804465
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478
N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
CID 10341141
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide (CID 10335977) is 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide is CC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide?
The InChIKey is ZKLDETCTQQTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)9-18-15(20)13-7-8-14(22-13)16(21)19-12-6-4-3-5-11(12)17/h3-8,10H,9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.97, 5 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-(2-methylpropyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 10335977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).