N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

C18H23NO4S — CID 5309814

IUPACN-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C18H23NO4S/c1-4-5-12-19(3)18(20)16-11-10-15(23-16)13-24(21,22)17-9-7-6-8-14(17)2/h6-11H,4-5,12-13H2,1-3H3
InChIKeyYBCGAVUMKMNMJR-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.43
Rot. Bonds7

About N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 5309814) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID5309814
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C18H23NO4S/c1-4-5-12-19(3)18(20)16-11-10-15(23-16)13-24(21,22)17-9-7-6-8-14(17)2/h6-11H,4-5,12-13H2,1-3H3
InChIKeyYBCGAVUMKMNMJR-UHFFFAOYSA-N
XLogP3.43
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 5309814) is N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is CCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1.
What is the InChIKey of N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is YBCGAVUMKMNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-5-12-19(3)18(20)16-11-10-15(23-16)13-24(21,22)17-9-7-6-8-14(17)2/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5309814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).