2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide

C22H27NO2S — CID 133235655

IUPAC2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCCC1(CC)CC(NC(=O)CSCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C22H27NO2S/c1-3-22(4-2)14-19(18-12-8-9-13-20(18)25-22)23-21(24)16-26-15-17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,24)
InChIKeyOLNGHTIULMELMD-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.12
Rot. Bonds7

About 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide

2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 133235655) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID133235655
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCCC1(CC)CC(NC(=O)CSCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C22H27NO2S/c1-3-22(4-2)14-19(18-12-8-9-13-20(18)25-22)23-21(24)16-26-15-17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,24)
InChIKeyOLNGHTIULMELMD-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133160023
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(phenylsulfanylmethyl)benzamide
CID 100732298
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132655809
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2-benzylsulfanyl-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655804
2-[N-(benzenesulfonyl)anilino]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703847
2-[N-(benzenesulfonyl)anilino]-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703833
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 100761272

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide (CID 133235655) is 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide is CCC1(CC)CC(NC(=O)CSCc2ccccc2)c2ccccc2O1.
What is the InChIKey of 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is OLNGHTIULMELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-3-22(4-2)14-19(18-12-8-9-13-20(18)25-22)23-21(24)16-26-15-17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,24).
What are the key properties of 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?
2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 369.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 133235655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).