[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium

C24H28N3O2S+ — CID 8769422

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H27N3O2S/c1-4-17-7-9-18(10-8-17)23(21-6-5-15-30-21)25-16-22(28)26-20-13-11-19(12-14-20)24(29)27(2)3/h5-15,23,25H,4,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyMDPXDSUXOHMNLE-HSZRJFAPSA-O
MW422.57 g/mol
LogP3.30
Rot. Bonds8

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 8769422) has the molecular formula C24H28N3O2S+ and a molecular weight of 422.57 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID8769422
Molecular FormulaC24H28N3O2S+
Molecular Weight422.57 g/mol
Exact Mass422.19
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H27N3O2S/c1-4-17-7-9-18(10-8-17)23(21-6-5-15-30-21)25-16-22(28)26-20-13-11-19(12-14-20)24(29)27(2)3/h5-15,23,25H,4,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyMDPXDSUXOHMNLE-HSZRJFAPSA-O
XLogP3.30
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium with MolForge

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Related Compounds

[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 8769107
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769614
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769616
[2-(2-chloroanilino)-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8768993
[2-(3-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862498
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863996
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864004
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]azanium
CID 9126315
[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8769341
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769527
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
CID 8769170
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium (CID 8769422) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium is CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2cccs2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is MDPXDSUXOHMNLE-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H27N3O2S/c1-4-17-7-9-18(10-8-17)23(21-6-5-15-30-21)25-16-22(28)26-20-13-11-19(12-14-20)24(29)27(2)3/h5-15,23,25H,4,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1.
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 422.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 8769422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).