(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H24N4O6S2 — CID 26873247

IUPAC(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H24N4O6S2/c1-11-8-16(21-28-11)20-18(24)12(2)29-10-17(23)19-14-9-13(6-7-15(14)27-5)30(25,26)22(3)4/h6-9,12H,10H2,1-5H3,(H,19,23)(H,20,21,24)/t12-/m1/s1
InChIKeyFDJPPVCAXADYBI-GFCCVEGCSA-N
MW456.55 g/mol
LogP1.94
Rot. Bonds9

About (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 26873247) has the molecular formula C18H24N4O6S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID26873247
Molecular FormulaC18H24N4O6S2
Molecular Weight456.55 g/mol
Exact Mass456.11
IUPAC Name(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H24N4O6S2/c1-11-8-16(21-28-11)20-18(24)12(2)29-10-17(23)19-14-9-13(6-7-15(14)27-5)30(25,26)22(3)4/h6-9,12H,10H2,1-5H3,(H,19,23)(H,20,21,24)/t12-/m1/s1
InChIKeyFDJPPVCAXADYBI-GFCCVEGCSA-N
XLogP1.94
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56809546
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
methyl 4-methyl-3-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate
CID 7920456
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8502344
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 24982517
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-2-oxoethyl]sulfanylpropanamide
CID 55395035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 26873247) is (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FDJPPVCAXADYBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O6S2/c1-11-8-16(21-28-11)20-18(24)12(2)29-10-17(23)19-14-9-13(6-7-15(14)27-5)30(25,26)22(3)4/h6-9,12H,10H2,1-5H3,(H,19,23)(H,20,21,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 456.55 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 26873247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).