2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C21H22N2OS — CID 41392516

IUPAC2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2OS/c1-2-16-9-6-7-12-18(16)22-15-20(24)23-21(19-13-8-14-25-19)17-10-4-3-5-11-17/h3-14,21-22H,2,15H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyPTDQEKWQTPQHSH-NRFANRHFSA-N
MW350.49 g/mol
LogP4.63
Rot. Bonds7

About 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 41392516) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID41392516
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2OS/c1-2-16-9-6-7-12-18(16)22-15-20(24)23-21(19-13-8-14-25-19)17-10-4-3-5-11-17/h3-14,21-22H,2,15H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyPTDQEKWQTPQHSH-NRFANRHFSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41397075
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 41392516) is 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is CCc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is PTDQEKWQTPQHSH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-16-9-6-7-12-18(16)22-15-20(24)23-21(19-13-8-14-25-19)17-10-4-3-5-11-17/h3-14,21-22H,2,15H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 41392516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).