2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide

C22H27NO3S — CID 15945446

IUPAC2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2c(c1)C(SCC(=O)NCCc1ccccc1)CC(C)(C)O2
InChIInChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24)
InChIKeyAFOTVSJJNDZGNM-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.39
Rot. Bonds7

About 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide

2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 15945446) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID15945446
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC Name2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2c(c1)C(SCC(=O)NCCc1ccccc1)CC(C)(C)O2
InChIInChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24)
InChIKeyAFOTVSJJNDZGNM-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 15945446) is 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide is COc1ccc2c(c1)C(SCC(=O)NCCc1ccccc1)CC(C)(C)O2.
What is the InChIKey of 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is AFOTVSJJNDZGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24).
What are the key properties of 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 385.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 15945446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).