N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide

C25H26N2OS — CID 42778056

IUPACN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccs3)c[nH]c12
InChIInChI=1S/C25H26N2OS/c1-4-18-7-5-8-20-22(15-26-25(18)20)21(23-9-6-12-29-23)14-24(28)27-19-11-10-16(2)17(3)13-19/h5-13,15,21,26H,4,14H2,1-3H3,(H,27,28)
InChIKeyJQKZXXUXKKCLNW-UHFFFAOYSA-N
MW402.56 g/mol
LogP6.57
Rot. Bonds6

About N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide

N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 42778056) has the molecular formula C25H26N2OS and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID42778056
Molecular FormulaC25H26N2OS
Molecular Weight402.56 g/mol
Exact Mass402.18
IUPAC NameN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccs3)c[nH]c12
InChIInChI=1S/C25H26N2OS/c1-4-18-7-5-8-20-22(15-26-25(18)20)21(23-9-6-12-29-23)14-24(28)27-19-11-10-16(2)17(3)13-19/h5-13,15,21,26H,4,14H2,1-3H3,(H,27,28)
InChIKeyJQKZXXUXKKCLNW-UHFFFAOYSA-N
XLogP6.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4622416
3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
CID 42774496
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 3548226
3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804479
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 42802325
3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803891
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
CID 3428544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide (CID 42778056) is N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide is CCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccs3)c[nH]c12.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is JQKZXXUXKKCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2OS/c1-4-18-7-5-8-20-22(15-26-25(18)20)21(23-9-6-12-29-23)14-24(28)27-19-11-10-16(2)17(3)13-19/h5-13,15,21,26H,4,14H2,1-3H3,(H,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide?
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42778056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).