(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C20H25NOS — CID 6927703

IUPAC(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NOS/c1-14-6-12-18(13-7-14)23-15(2)19(22)21-17-10-8-16(9-11-17)20(3,4)5/h6-13,15H,1-5H3,(H,21,22)/t15-/m1/s1
InChIKeyUOCZIQTWMOFGIV-OAHLLOKOSA-N
MW327.49 g/mol
LogP5.41
Rot. Bonds4

About (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 6927703) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID6927703
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NOS/c1-14-6-12-18(13-7-14)23-15(2)19(22)21-17-10-8-16(9-11-17)20(3,4)5/h6-13,15H,1-5H3,(H,21,22)/t15-/m1/s1
InChIKeyUOCZIQTWMOFGIV-OAHLLOKOSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
(2S)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 7814074
(2S)-2-(4-methylphenyl)sulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 9429388
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951509

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 6927703) is (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is UOCZIQTWMOFGIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NOS/c1-14-6-12-18(13-7-14)23-15(2)19(22)21-17-10-8-16(9-11-17)20(3,4)5/h6-13,15H,1-5H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 327.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 6927703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).