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

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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).