N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide

C19H23NO4S — CID 164640310

IUPACN-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCCOc1ccc2c(c1)[C@@H](NS(=O)(=O)Cc1ccccc1C)CCO2
InChIInChI=1S/C19H23NO4S/c1-3-23-16-8-9-19-17(12-16)18(10-11-24-19)20-25(21,22)13-15-7-5-4-6-14(15)2/h4-9,12,18,20H,3,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeySXRYCEKRXMRHNB-SFHVURJKSA-N
MW361.46 g/mol
LogP3.34
Rot. Bonds6

About N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide

N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 164640310) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID164640310
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCCOc1ccc2c(c1)[C@@H](NS(=O)(=O)Cc1ccccc1C)CCO2
InChIInChI=1S/C19H23NO4S/c1-3-23-16-8-9-19-17(12-16)18(10-11-24-19)20-25(21,22)13-15-7-5-4-6-14(15)2/h4-9,12,18,20H,3,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeySXRYCEKRXMRHNB-SFHVURJKSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide 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

6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110399987
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
3-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 146127534
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
CID 138013365
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126780314

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide (CID 164640310) is N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide is CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)Cc1ccccc1C)CCO2.
What is the InChIKey of N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is SXRYCEKRXMRHNB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-23-16-8-9-19-17(12-16)18(10-11-24-19)20-25(21,22)13-15-7-5-4-6-14(15)2/h4-9,12,18,20H,3,10-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide?
N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 164640310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).