N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

C20H25NO4S — CID 55682011

IUPACN-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1C
InChIInChI=1S/C20H25NO4S/c1-13-11-18(13)20-8-6-16(25-20)12-21(15-4-5-15)26(22,23)17-7-9-19(24-3)14(2)10-17/h6-10,13,15,18H,4-5,11-12H2,1-3H3
InChIKeyPXOIXOYSAOXNFE-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.07
Rot. Bonds7

About N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 55682011) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID55682011
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1C
InChIInChI=1S/C20H25NO4S/c1-13-11-18(13)20-8-6-16(25-20)12-21(15-4-5-15)26(22,23)17-7-9-19(24-3)14(2)10-17/h6-10,13,15,18H,4-5,11-12H2,1-3H3
InChIKeyPXOIXOYSAOXNFE-UHFFFAOYSA-N
XLogP4.07
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (CID 55682011) is N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is PXOIXOYSAOXNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13-11-18(13)20-8-6-16(25-20)12-21(15-4-5-15)26(22,23)17-7-9-19(24-3)14(2)10-17/h6-10,13,15,18H,4-5,11-12H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 55682011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).