N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide

C18H20N2O4S2 — CID 93126000

IUPACN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-3-24-16-9-7-15(8-10-16)20-17(21)12-25-18(20)13-5-4-6-14(11-13)19-26(2,22)23/h4-11,18-19H,3,12H2,1-2H3/t18-/m0/s1
InChIKeyIULPAODYYXVFLV-SFHVURJKSA-N
MW392.50 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide

N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide (PubChem CID 93126000) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
PubChem CID93126000
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-3-24-16-9-7-15(8-10-16)20-17(21)12-25-18(20)13-5-4-6-14(11-13)19-26(2,22)23/h4-11,18-19H,3,12H2,1-2H3/t18-/m0/s1
InChIKeyIULPAODYYXVFLV-SFHVURJKSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 42804732
N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
CID 42805309
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
ethyl 4-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125737
N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]furan-2-carboxamide
CID 46132672
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
CID 93125988
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide (CID 93126000) is N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide is CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is IULPAODYYXVFLV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-3-24-16-9-7-15(8-10-16)20-17(21)12-25-18(20)13-5-4-6-14(11-13)19-26(2,22)23/h4-11,18-19H,3,12H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 93126000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).