N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide

C20H23NO2S — CID 132652300

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
SMILESCC1(C)CC(NC(=O)CCSc2ccccc2)c2ccccc2O1
InChIInChI=1S/C20H23NO2S/c1-20(2)14-17(16-10-6-7-11-18(16)23-20)21-19(22)12-13-24-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,21,22)
InChIKeySWDIIDPVPHZXPY-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.59
Rot. Bonds5

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide (PubChem CID 132652300) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
PubChem CID132652300
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
SMILESCC1(C)CC(NC(=O)CCSc2ccccc2)c2ccccc2O1
InChIInChI=1S/C20H23NO2S/c1-20(2)14-17(16-10-6-7-11-18(16)23-20)21-19(22)12-13-24-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,21,22)
InChIKeySWDIIDPVPHZXPY-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944
4-(4-chlorophenyl)sulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662172
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 92626763
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide (CID 132652300) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide is CC1(C)CC(NC(=O)CCSc2ccccc2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide?
The InChIKey is SWDIIDPVPHZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-20(2)14-17(16-10-6-7-11-18(16)23-20)21-19(22)12-13-24-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 132652300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).