2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C19H23NOS — CID 875299

IUPAC2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NOS/c1-14(2)16-8-10-18(11-9-16)20-19(21)13-22-12-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyJWMCICFZTFREHC-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.99
Rot. Bonds6

About 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 875299) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID875299
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NOS/c1-14(2)16-8-10-18(11-9-16)20-19(21)13-22-12-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyJWMCICFZTFREHC-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 17373026
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 2079358
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100523985
1-(4-chlorophenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373020
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 126331771
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 100609945
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 875299) is 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccccc1CSCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JWMCICFZTFREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14(2)16-8-10-18(11-9-16)20-19(21)13-22-12-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 875299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).