N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide

C15H18N2O4S — CID 51699077

IUPACN-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-3-6-14(21-11)10-17-22(19,20)15-7-4-13(5-8-15)9-16-12(2)18/h3-8,17H,9-10H2,1-2H3,(H,16,18)
InChIKeyXSMKKGQOXRWXSO-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.70
Rot. Bonds6

About N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide

N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide (PubChem CID 51699077) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
PubChem CID51699077
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-3-6-14(21-11)10-17-22(19,20)15-7-4-13(5-8-15)9-16-12(2)18/h3-8,17H,9-10H2,1-2H3,(H,16,18)
InChIKeyXSMKKGQOXRWXSO-UHFFFAOYSA-N
XLogP1.70
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide
CID 65214119

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide (CID 51699077) is N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1.
What is the InChIKey of N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide?
The InChIKey is XSMKKGQOXRWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-3-6-14(21-11)10-17-22(19,20)15-7-4-13(5-8-15)9-16-12(2)18/h3-8,17H,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide?
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 51699077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).