2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

C19H23NOS — CID 889563

IUPAC2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)14-22-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyCSAMURLGJVAXIC-HNNXBMFYSA-N
MW313.47 g/mol
LogP5.07
Rot. Bonds7

About 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 889563) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID889563
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)14-22-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyCSAMURLGJVAXIC-HNNXBMFYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (CID 889563) is 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is CSAMURLGJVAXIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)14-22-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 889563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).