(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide

C19H24N2OS — CID 8769306

IUPAC(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-14-6-8-15(9-7-14)18(17-5-4-12-23-17)20-13(2)19(22)21-16-10-11-16/h4-9,12-13,16,18,20H,3,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1
InChIKeyXUBOASVSDCJDHF-ACJLOTCBSA-N
MW328.48 g/mol
LogP3.66
Rot. Bonds7

About (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide

(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide (PubChem CID 8769306) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
PubChem CID8769306
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-14-6-8-15(9-7-14)18(17-5-4-12-23-17)20-13(2)19(22)21-16-10-11-16/h4-9,12-13,16,18,20H,3,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1
InChIKeyXUBOASVSDCJDHF-ACJLOTCBSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769303
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8829973
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769307
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
(2S)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8769313
(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769334
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(2R)-N-(cyclohexylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052416
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide (CID 8769306) is (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide is CCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccs2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The InChIKey is XUBOASVSDCJDHF-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-14-6-8-15(9-7-14)18(17-5-4-12-23-17)20-13(2)19(22)21-16-10-11-16/h4-9,12-13,16,18,20H,3,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide has a molecular weight of 328.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide is sourced from PubChem (CID 8769306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).