N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C20H25NOS — CID 2206380

IUPACN-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-3-4-8-17-10-12-19(13-11-17)21-20(22)15-23-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,21,22)
InChIKeyHAUXTRIKAIGGFL-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.21
Rot. Bonds8

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

N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 2206380) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID2206380
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-3-4-8-17-10-12-19(13-11-17)21-20(22)15-23-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,21,22)
InChIKeyHAUXTRIKAIGGFL-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
1-(4-butylphenyl)-3-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]thiourea
CID 2728146
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 3572767
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 2206380) is N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is CCCCc1ccc(NC(=O)CSCc2ccccc2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HAUXTRIKAIGGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-3-4-8-17-10-12-19(13-11-17)21-20(22)15-23-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 327.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).