(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide

C22H24N2OS — CID 9052277

IUPAC(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc(C)c2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)21(20-8-5-13-26-20)23-17(3)22(25)24-19-7-4-6-16(2)14-19/h4-14,17,21,23H,1-3H3,(H,24,25)/t17-,21-/m0/s1
InChIKeyDIFLKWALUOUFLI-UWJYYQICSA-N
MW364.51 g/mol
LogP5.07
Rot. Bonds6

About (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide

(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide (PubChem CID 9052277) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
PubChem CID9052277
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
SMILESCc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc(C)c2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)21(20-8-5-13-26-20)23-17(3)22(25)24-19-7-4-6-16(2)14-19/h4-14,17,21,23H,1-3H3,(H,24,25)/t17-,21-/m0/s1
InChIKeyDIFLKWALUOUFLI-UWJYYQICSA-N
XLogP5.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051976
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9052433
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052242
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8869717
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052115
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
(2R)-N-(cyclohexylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052416

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The IUPAC name of (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide (CID 9052277) is (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide is Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc(C)c2)c2cccs2)cc1.
What is the InChIKey of (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
The InChIKey is DIFLKWALUOUFLI-UWJYYQICSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)21(20-8-5-13-26-20)23-17(3)22(25)24-19-7-4-6-16(2)14-19/h4-14,17,21,23H,1-3H3,(H,24,25)/t17-,21-/m0/s1.
What are the key properties of (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide?
(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide has a molecular weight of 364.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide is sourced from PubChem (CID 9052277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).