2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide

C19H26N4O2S — CID 10339400

IUPAC2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C19H26N4O2S/c1-19(2,12-23(3)4)11-21-17(24)15-9-10-16(26-15)18(25)22-14-8-6-5-7-13(14)20/h5-10H,11-12,20H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyLCHUJEHBQYUCNF-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.90
Rot. Bonds7

About 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide

2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide (PubChem CID 10339400) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
PubChem CID10339400
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C19H26N4O2S/c1-19(2,12-23(3)4)11-21-17(24)15-9-10-16(26-15)18(25)22-14-8-6-5-7-13(14)20/h5-10H,11-12,20H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyLCHUJEHBQYUCNF-UHFFFAOYSA-N
XLogP2.90
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
CID 10341141
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide
CID 60628788
2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
CID 10340189
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619126
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
CID 89135948
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide (CID 10339400) is 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide is CN(C)CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)s1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide?
The InChIKey is LCHUJEHBQYUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-19(2,12-23(3)4)11-21-17(24)15-9-10-16(26-15)18(25)22-14-8-6-5-7-13(14)20/h5-10H,11-12,20H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 10339400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).