3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C18H24N2O4S — CID 4807517

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C18H24N2O4S/c1-13-5-8-17(11-14(13)2)25(22,23)19-10-9-18(21)20(4)12-16-7-6-15(3)24-16/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyFZHKVASYCCTODX-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.53
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 4807517) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID4807517
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C18H24N2O4S/c1-13-5-8-17(11-14(13)2)25(22,23)19-10-9-18(21)20(4)12-16-7-6-15(3)24-16/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyFZHKVASYCCTODX-UHFFFAOYSA-N
XLogP2.53
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31152189
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
CID 55957065
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 86945665
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551118
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 4807517) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)o1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is FZHKVASYCCTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13-5-8-17(11-14(13)2)25(22,23)19-10-9-18(21)20(4)12-16-7-6-15(3)24-16/h5-8,11,19H,9-10,12H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 364.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 4807517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).