methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

C18H21N3O7S — CID 56579697

IUPACmethyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)oc1C
InChIInChI=1S/C18H21N3O7S/c1-10-14(18(24)27-3)8-13(28-10)9-19-17(23)15-7-12(20-11(2)22)5-6-16(15)21-29(4,25)26/h5-8,21H,9H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyWIAYOQCDAFLFAU-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.63
Rot. Bonds7

About methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 56579697) has the molecular formula C18H21N3O7S and a molecular weight of 423.45 g/mol. Its IUPAC name is methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID56579697
Molecular FormulaC18H21N3O7S
Molecular Weight423.45 g/mol
Exact Mass423.11
IUPAC Namemethyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)oc1C
InChIInChI=1S/C18H21N3O7S/c1-10-14(18(24)27-3)8-13(28-10)9-19-17(23)15-7-12(20-11(2)22)5-6-16(15)21-29(4,25)26/h5-8,21H,9H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyWIAYOQCDAFLFAU-UHFFFAOYSA-N
XLogP1.63
TPSA143.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
CID 55619007
6-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 119220222
5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226653
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 56539881
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
CID 56539236

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 56579697) is methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)oc1C.
What is the InChIKey of methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is WIAYOQCDAFLFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7S/c1-10-14(18(24)27-3)8-13(28-10)9-19-17(23)15-7-12(20-11(2)22)5-6-16(15)21-29(4,25)26/h5-8,21H,9H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 423.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 56579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).