N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide

C16H20N2OS — CID 65237112

IUPACN-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-4-9-18(14-8-6-5-7-13(14)17)16(19)15-10-11(2)12(3)20-15/h5-8,10H,4,9,17H2,1-3H3
InChIKeyFDRMXBZNURBIBA-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.00
Rot. Bonds4

About N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide

N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide (PubChem CID 65237112) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
PubChem CID65237112
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-4-9-18(14-8-6-5-7-13(14)17)16(19)15-10-11(2)12(3)20-15/h5-8,10H,4,9,17H2,1-3H3
InChIKeyFDRMXBZNURBIBA-UHFFFAOYSA-N
XLogP4.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63230488
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide (CID 65237112) is N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide?
The InChIKey is FDRMXBZNURBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-9-18(14-8-6-5-7-13(14)17)16(19)15-10-11(2)12(3)20-15/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide?
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 65237112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).