N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

C18H21NO3S — CID 42960439

IUPACN-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C18H21NO3S/c1-13-11-17(13)18-10-9-15(22-18)12-19(14-7-8-14)23(20,21)16-5-3-2-4-6-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3
InChIKeyLFZBJMVHWRWWQH-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.76
Rot. Bonds6

About N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 42960439) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID42960439
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C18H21NO3S/c1-13-11-17(13)18-10-9-15(22-18)12-19(14-7-8-14)23(20,21)16-5-3-2-4-6-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3
InChIKeyLFZBJMVHWRWWQH-UHFFFAOYSA-N
XLogP3.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55682151
N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 55682011
(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 134028181
2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015119
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 55682514
3-(dimethylsulfamoyl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 17471417
N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 52502100
2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
CID 154740064
N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94450217

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (CID 42960439) is N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is CC1CC1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is LFZBJMVHWRWWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-11-17(13)18-10-9-15(22-18)12-19(14-7-8-14)23(20,21)16-5-3-2-4-6-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 42960439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).