N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide

C20H29N5O2S — CID 10341141

IUPACN-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C20H29N5O2S/c1-20(2,13-25(3)4)12-23-19(27)22-11-14-9-10-17(28-14)18(26)24-16-8-6-5-7-15(16)21/h5-10H,11-13,21H2,1-4H3,(H,24,26)(H2,22,23,27)
InChIKeyGFJMMVNUYDFAIB-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.97
Rot. Bonds8

About N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide (PubChem CID 10341141) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
PubChem CID10341141
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC NameN-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C20H29N5O2S/c1-20(2,13-25(3)4)12-23-19(27)22-11-14-9-10-17(28-14)18(26)24-16-8-6-5-7-15(16)21/h5-10H,11-13,21H2,1-4H3,(H,24,26)(H2,22,23,27)
InChIKeyGFJMMVNUYDFAIB-UHFFFAOYSA-N
XLogP2.97
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
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
N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
CID 11222430
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-(2-aminophenyl)-5-[[(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
CID 85417464
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 46087517
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide (CID 10341141) is N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide is CN(C)CC(C)(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide?
The InChIKey is GFJMMVNUYDFAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-20(2,13-25(3)4)12-23-19(27)22-11-14-9-10-17(28-14)18(26)24-16-8-6-5-7-15(16)21/h5-10H,11-13,21H2,1-4H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10341141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).