(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide

C23H24N2O4S2 — CID 2212233

IUPAC(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17(25(31(3,27)28)18-13-15-19(29-2)16-14-18)23(26)24-21-11-7-8-12-22(21)30-20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyBTASUVIROFXBGS-QGZVFWFLSA-N
MW456.59 g/mol
LogP4.64
Rot. Bonds8

About (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 2212233) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID2212233
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17(25(31(3,27)28)18-13-15-19(29-2)16-14-18)23(26)24-21-11-7-8-12-22(21)30-20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyBTASUVIROFXBGS-QGZVFWFLSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
(2S)-N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998674
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (CID 2212233) is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is BTASUVIROFXBGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17(25(31(3,27)28)18-13-15-19(29-2)16-14-18)23(26)24-21-11-7-8-12-22(21)30-20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 456.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 2212233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).