2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

C21H27NOS — CID 4201897

IUPAC2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2cc(C(C)(C)C)ccc2C)c1
InChIInChI=1S/C21H27NOS/c1-14-9-15(2)11-18(10-14)22-20(23)13-24-19-12-17(21(4,5)6)8-7-16(19)3/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyJRDBXZKDPWFCKL-UHFFFAOYSA-N
MW341.52 g/mol
LogP5.64
Rot. Bonds4

About 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 4201897) has the molecular formula C21H27NOS and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID4201897
Molecular FormulaC21H27NOS
Molecular Weight341.52 g/mol
Exact Mass341.18
IUPAC Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2cc(C(C)(C)C)ccc2C)c1
InChIInChI=1S/C21H27NOS/c1-14-9-15(2)11-18(10-14)22-20(23)13-24-19-12-17(21(4,5)6)8-7-16(19)3/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyJRDBXZKDPWFCKL-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
CID 4218644
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 3610323
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 4299760
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 55399258
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 4201897) is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CSc2cc(C(C)(C)C)ccc2C)c1.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is JRDBXZKDPWFCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOS/c1-14-9-15(2)11-18(10-14)22-20(23)13-24-19-12-17(21(4,5)6)8-7-16(19)3/h7-12H,13H2,1-6H3,(H,22,23).
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 341.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4201897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).