N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C20H25NOS — CID 100609945

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-4-17-9-11-18(12-10-17)16(3)21-20(22)14-23-13-19-8-6-5-7-15(19)2/h5-12,16H,4,13-14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyFNVVZBIINZJCMJ-INIZCTEOSA-N
MW327.49 g/mol
LogP4.67
Rot. Bonds7

About N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 100609945) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID100609945
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-4-17-9-11-18(12-10-17)16(3)21-20(22)14-23-13-19-8-6-5-7-15(19)2/h5-12,16H,4,13-14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyFNVVZBIINZJCMJ-INIZCTEOSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31542494
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(1R)-3-methyl-1-phenylbutyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 94019796
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 18086328
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 100609945) is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is CCc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is FNVVZBIINZJCMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NOS/c1-4-17-9-11-18(12-10-17)16(3)21-20(22)14-23-13-19-8-6-5-7-15(19)2/h5-12,16H,4,13-14H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 327.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 100609945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).