N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide

C15H17NO4S — CID 2461260

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H17NO4S/c1-11-4-7-13(20-11)10-16(2)15(17)12-5-8-14(9-6-12)21(3,18)19/h4-9H,10H2,1-3H3
InChIKeyIMHRRRSTKDBUFI-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide (PubChem CID 2461260) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
PubChem CID2461260
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H17NO4S/c1-11-4-7-13(20-11)10-16(2)15(17)12-5-8-14(9-6-12)21(3,18)19/h4-9H,10H2,1-3H3
InChIKeyIMHRRRSTKDBUFI-UHFFFAOYSA-N
XLogP2.26
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46654097
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide (CID 2461260) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide is Cc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is IMHRRRSTKDBUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-4-7-13(20-11)10-16(2)15(17)12-5-8-14(9-6-12)21(3,18)19/h4-9H,10H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 307.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 2461260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).