N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide

C21H21NO6S — CID 7148143

IUPACN-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC
InChIInChI=1S/C21H21NO6S/c1-13-5-8-15(9-6-13)29(24,25)22-17-12-20(27-4)19(26-3)11-16(17)21(23)18-10-7-14(2)28-18/h5-12,22H,1-4H3
InChIKeyZVQHGCVNKJIQBL-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.95
Rot. Bonds7

About N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 7148143) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID7148143
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC NameN-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC
InChIInChI=1S/C21H21NO6S/c1-13-5-8-15(9-6-13)29(24,25)22-17-12-20(27-4)19(26-3)11-16(17)21(23)18-10-7-14(2)28-18/h5-12,22H,1-4H3
InChIKeyZVQHGCVNKJIQBL-UHFFFAOYSA-N
XLogP3.95
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[7-(5-methylfuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
CID 7148140
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373387
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 7148143) is N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZVQHGCVNKJIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-13-5-8-15(9-6-13)29(24,25)22-17-12-20(27-4)19(26-3)11-16(17)21(23)18-10-7-14(2)28-18/h5-12,22H,1-4H3.
What are the key properties of N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7148143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).