N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide

C24H22N2O7S2 — CID 2157203

IUPACN-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H22N2O7S2/c1-15-6-9-17(10-7-15)35(28,29)23-24(33-22(26-23)19-5-4-12-32-19)34-14-21(27)25-18-11-8-16(30-2)13-20(18)31-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyJCWXTMASWOFWPI-UHFFFAOYSA-N
MW514.58 g/mol
LogP4.82
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide

N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide (PubChem CID 2157203) has the molecular formula C24H22N2O7S2 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
PubChem CID2157203
Molecular FormulaC24H22N2O7S2
Molecular Weight514.58 g/mol
Exact Mass514.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H22N2O7S2/c1-15-6-9-17(10-7-15)35(28,29)23-24(33-22(26-23)19-5-4-12-32-19)34-14-21(27)25-18-11-8-16(30-2)13-20(18)31-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyJCWXTMASWOFWPI-UHFFFAOYSA-N
XLogP4.82
TPSA120.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500260
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CID 2053030
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2068282
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157225
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2941083
N-(2,5-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1072545
N-(2,4-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18132808
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 16832896
N-(2,4-dimethoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2707033
N-(2-methoxy-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3898640
N-(2,4-dimethoxyphenyl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide (CID 2157203) is N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The InChIKey is JCWXTMASWOFWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7S2/c1-15-6-9-17(10-7-15)35(28,29)23-24(33-22(26-23)19-5-4-12-32-19)34-14-21(27)25-18-11-8-16(30-2)13-20(18)31-3/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide has a molecular weight of 514.58 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 2157203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).