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

C24H28N2O2S — CID 8769242

IUPAC(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NCc2ccc(OC)cc2)c2cccs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-18-7-11-20(12-8-18)23(22-6-5-15-29-22)26-17(2)24(27)25-16-19-9-13-21(28-3)14-10-19/h5-15,17,23,26H,4,16H2,1-3H3,(H,25,27)/t17-,23+/m1/s1
InChIKeyKQECROIBIWNZAA-HXOBKFHXSA-N
MW408.57 g/mol
LogP4.70
Rot. Bonds9

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

(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 8769242) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID8769242
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NCc2ccc(OC)cc2)c2cccs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-18-7-11-20(12-8-18)23(22-6-5-15-29-22)26-17(2)24(27)25-16-19-9-13-21(28-3)14-10-19/h5-15,17,23,26H,4,16H2,1-3H3,(H,25,27)/t17-,23+/m1/s1
InChIKeyKQECROIBIWNZAA-HXOBKFHXSA-N
XLogP4.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.70
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
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
(2S)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8769313
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867469
(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769334
1-[(4-methoxyphenyl)methyl]-3-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 8769242) is (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is CCc1ccc([C@H](N[C@H](C)C(=O)NCc2ccc(OC)cc2)c2cccs2)cc1.
What is the InChIKey of (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is KQECROIBIWNZAA-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-4-18-7-11-20(12-8-18)23(22-6-5-15-29-22)26-17(2)24(27)25-16-19-9-13-21(28-3)14-10-19/h5-15,17,23,26H,4,16H2,1-3H3,(H,25,27)/t17-,23+/m1/s1.
What are the key properties of (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 408.57 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 8769242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).