(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide

C19H26N2OS — CID 8718457

IUPAC(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2OS/c1-5-21(13-18-7-6-12-23-18)15(4)19(22)20-17-10-8-16(9-11-17)14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyQJLKOARPHAPGSE-HNNXBMFYSA-N
MW330.50 g/mol
LogP4.72
Rot. Bonds7

About (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide

(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 8718457) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID8718457
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2OS/c1-5-21(13-18-7-6-12-23-18)15(4)19(22)20-17-10-8-16(9-11-17)14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyQJLKOARPHAPGSE-HNNXBMFYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]propanamide
CID 112798578
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
CID 8718468
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8718481
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (CID 8718457) is (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is QJLKOARPHAPGSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-5-21(13-18-7-6-12-23-18)15(4)19(22)20-17-10-8-16(9-11-17)14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 330.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8718457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).