N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C14H21NOS — CID 40613910

IUPACN-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-12(3)15-14(16)10-17-9-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyFXBZGSZMSLOEQE-GFCCVEGCSA-N
MW251.39 g/mol
LogP3.14
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 40613910) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID40613910
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-12(3)15-14(16)10-17-9-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyFXBZGSZMSLOEQE-GFCCVEGCSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43387373
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
(2S,3R)-3-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 104964864
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanedioic acid
CID 78910243
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
4-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 61244020

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 40613910) is N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is CC[C@@H](C)NC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is FXBZGSZMSLOEQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-12(3)15-14(16)10-17-9-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 251.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 40613910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).