[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium

C24H28N3O2S+ — CID 8769616

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(CC)cc2)c2cccs2)c1
InChIInChI=1S/C24H27N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-16-22(28)27-20-8-5-7-19(15-20)24(29)25-4-2/h5-15,23,26H,3-4,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m1/s1
InChIKeyZEHBGHUKNHAURT-HSZRJFAPSA-O
MW422.57 g/mol
LogP3.35
Rot. Bonds9

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 8769616) has the molecular formula C24H28N3O2S+ and a molecular weight of 422.57 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID8769616
Molecular FormulaC24H28N3O2S+
Molecular Weight422.57 g/mol
Exact Mass422.19
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(CC)cc2)c2cccs2)c1
InChIInChI=1S/C24H27N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-16-22(28)27-20-8-5-7-19(15-20)24(29)25-4-2/h5-15,23,26H,3-4,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m1/s1
InChIKeyZEHBGHUKNHAURT-HSZRJFAPSA-O
XLogP3.35
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769614
[2-(3-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862498
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769422
[2-(3-fluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052012
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8830328
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 8769107
[2-(2-chloroanilino)-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8768993
[2-(3-chloroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9051679
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9051932
[2-(3-methoxyanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9051720
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769527
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium (CID 8769616) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium is CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(CC)cc2)c2cccs2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is ZEHBGHUKNHAURT-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H27N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-16-22(28)27-20-8-5-7-19(15-20)24(29)25-4-2/h5-15,23,26H,3-4,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m1/s1.
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 422.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 8769616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).