(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide

C17H22N2OS — CID 9136299

IUPAC(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCCc1ccc([C@@H](N[C@H](C)C(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-3-5-13-7-9-14(10-8-13)16(15-6-4-11-21-15)19-12(2)17(18)20/h4,6-12,16,19H,3,5H2,1-2H3,(H2,18,20)/t12-,16-/m1/s1
InChIKeyGWNHUXSHXZSRLY-MLGOLLRUSA-N
MW302.44 g/mol
LogP3.25
Rot. Bonds7

About (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide

(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide (PubChem CID 9136299) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
PubChem CID9136299
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCCc1ccc([C@@H](N[C@H](C)C(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-3-5-13-7-9-14(10-8-13)16(15-6-4-11-21-15)19-12(2)17(18)20/h4,6-12,16,19H,3,5H2,1-2H3,(H2,18,20)/t12-,16-/m1/s1
InChIKeyGWNHUXSHXZSRLY-MLGOLLRUSA-N
XLogP3.25
TPSA55.12 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
(2R)-N-carbamoyl-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769401
(2R)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769399
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 9136177
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The IUPAC name of (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide (CID 9136299) is (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide is CCCc1ccc([C@@H](N[C@H](C)C(N)=O)c2cccs2)cc1.
What is the InChIKey of (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The InChIKey is GWNHUXSHXZSRLY-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-5-13-7-9-14(10-8-13)16(15-6-4-11-21-15)19-12(2)17(18)20/h4,6-12,16,19H,3,5H2,1-2H3,(H2,18,20)/t12-,16-/m1/s1.
What are the key properties of (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide is sourced from PubChem (CID 9136299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).