N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide

C16H21NO3S — CID 15174185

IUPACN-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)c2ccco2)cc1
InChIInChI=1S/C16H21NO3S/c1-12(2)11-15(16-5-4-10-20-16)17-21(18,19)14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3
InChIKeyJFACROSVUWSWPJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.65
Rot. Bonds6

About N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide

N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide (PubChem CID 15174185) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
PubChem CID15174185
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)c2ccco2)cc1
InChIInChI=1S/C16H21NO3S/c1-12(2)11-15(16-5-4-10-20-16)17-21(18,19)14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3
InChIKeyJFACROSVUWSWPJ-UHFFFAOYSA-N
XLogP3.65
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25161941
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233239
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
4-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 11726725
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide (CID 15174185) is N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)c2ccco2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is JFACROSVUWSWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12(2)11-15(16-5-4-10-20-16)17-21(18,19)14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide?
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).