2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C21H26N2O6S — CID 1006725

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-11-10-18(13-20(19)28-2)30(25,26)23(16-7-4-3-5-8-16)15-21(24)22-14-17-9-6-12-29-17/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyFUKOMMHZEZJDOZ-QGZVFWFLSA-N
MW434.51 g/mol
LogP2.19
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 1006725) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID1006725
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-11-10-18(13-20(19)28-2)30(25,26)23(16-7-4-3-5-8-16)15-21(24)22-14-17-9-6-12-29-17/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyFUKOMMHZEZJDOZ-QGZVFWFLSA-N
XLogP2.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3121372
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928616
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144112
2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900777
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1107734
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2896469
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2898535
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 125074020

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 1006725) is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is FUKOMMHZEZJDOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-19-11-10-18(13-20(19)28-2)30(25,26)23(16-7-4-3-5-8-16)15-21(24)22-14-17-9-6-12-29-17/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 434.51 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1006725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).