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

C23H23N3OS — CID 8769334

IUPAC(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C#N)cc2)c2cccs2)cc1
InChIInChI=1S/C23H23N3OS/c1-3-17-6-10-19(11-7-17)22(21-5-4-14-28-21)25-16(2)23(27)26-20-12-8-18(15-24)9-13-20/h4-14,16,22,25H,3H2,1-2H3,(H,26,27)/t16-,22+/m1/s1
InChIKeyZGMLRAMKDGDXON-ZHRRBRCNSA-N
MW389.52 g/mol
LogP4.89
Rot. Bonds7

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

(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide (PubChem CID 8769334) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
PubChem CID8769334
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C#N)cc2)c2cccs2)cc1
InChIInChI=1S/C23H23N3OS/c1-3-17-6-10-19(11-7-17)22(21-5-4-14-28-21)25-16(2)23(27)26-20-12-8-18(15-24)9-13-20/h4-14,16,22,25H,3H2,1-2H3,(H,26,27)/t16-,22+/m1/s1
InChIKeyZGMLRAMKDGDXON-ZHRRBRCNSA-N
XLogP4.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
(2S)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8769313
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2R)-N-(2-cyanophenyl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8998137
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide (CID 8769334) is (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide is CCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C#N)cc2)c2cccs2)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The InChIKey is ZGMLRAMKDGDXON-ZHRRBRCNSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-3-17-6-10-19(11-7-17)22(21-5-4-14-28-21)25-16(2)23(27)26-20-12-8-18(15-24)9-13-20/h4-14,16,22,25H,3H2,1-2H3,(H,26,27)/t16-,22+/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide has a molecular weight of 389.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide is sourced from PubChem (CID 8769334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).