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

C20H25NOS — CID 2976562

IUPACN-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C20H25NOS/c1-14-10-12-16(13-11-14)23-15(2)19(22)21-18-9-7-6-8-17(18)20(3,4)5/h6-13,15H,1-5H3,(H,21,22)
InChIKeyJUMGEHPJRKXINQ-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.41
Rot. Bonds4

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

N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2976562) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2976562
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C20H25NOS/c1-14-10-12-16(13-11-14)23-15(2)19(22)21-18-9-7-6-8-17(18)20(3,4)5/h6-13,15H,1-5H3,(H,21,22)
InChIKeyJUMGEHPJRKXINQ-UHFFFAOYSA-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

methyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115619
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
ethyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115639
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19316540
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 2976562) is N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is JUMGEHPJRKXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-14-10-12-16(13-11-14)23-15(2)19(22)21-18-9-7-6-8-17(18)20(3,4)5/h6-13,15H,1-5H3,(H,21,22).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(2-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 N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2976562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).