2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid

C17H20N2O6S — CID 119226985

IUPAC2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C17H20N2O6S/c1-3-7-26(23,24)19-13-6-4-5-12(8-13)16(20)18-10-14-9-15(17(21)22)11(2)25-14/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyILYMSNCEALURMO-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.37
Rot. Bonds8

About 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119226985) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119226985
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C17H20N2O6S/c1-3-7-26(23,24)19-13-6-4-5-12(8-13)16(20)18-10-14-9-15(17(21)22)11(2)25-14/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyILYMSNCEALURMO-UHFFFAOYSA-N
XLogP2.37
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931
5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226653
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429210
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
5-[[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226807
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid (CID 119226985) is 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid is CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(C(=O)O)c(C)o2)c1.
What is the InChIKey of 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is ILYMSNCEALURMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-3-7-26(23,24)19-13-6-4-5-12(8-13)16(20)18-10-14-9-15(17(21)22)11(2)25-14/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 380.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).