(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide

C17H22N2OS — CID 97059465

IUPAC(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
SMILESCCc1ccccc1NC(=O)C[C@@H](C)NCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-14-7-4-5-9-16(14)19-17(20)11-13(2)18-12-15-8-6-10-21-15/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyOFLRPURJOYBZCI-CYBMUJFWSA-N
MW302.44 g/mol
LogP3.82
Rot. Bonds7

About (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide

(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide (PubChem CID 97059465) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
PubChem CID97059465
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
SMILESCCc1ccccc1NC(=O)C[C@@H](C)NCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-14-7-4-5-9-16(14)19-17(20)11-13(2)18-12-15-8-6-10-21-15/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyOFLRPURJOYBZCI-CYBMUJFWSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769822
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
(2R)-2-[[4-(2-ethylanilino)-4-oxobutan-2-yl]amino]-3-phenylpropanoic acid
CID 122037925
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide?
The IUPAC name of (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide (CID 97059465) is (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide.
What is the SMILES notation for (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide?
The canonical SMILES for (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide is CCc1ccccc1NC(=O)C[C@@H](C)NCc1cccs1.
What is the InChIKey of (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide?
The InChIKey is OFLRPURJOYBZCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-14-7-4-5-9-16(14)19-17(20)11-13(2)18-12-15-8-6-10-21-15/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide?
(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide has a molecular weight of 302.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide is sourced from PubChem (CID 97059465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).