N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C20H22N2O4S — CID 18079652

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2c(C)noc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-5-11-19(12-6-14)27(23,24)22(13-20-15(2)21-26-16(20)3)17-7-9-18(25-4)10-8-17/h5-12H,13H2,1-4H3
InChIKeyQCWBTUTWLDVARC-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.00
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 18079652) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID18079652
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2c(C)noc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-5-11-19(12-6-14)27(23,24)22(13-20-15(2)21-26-16(20)3)17-7-9-18(25-4)10-8-17/h5-12H,13H2,1-4H3
InChIKeyQCWBTUTWLDVARC-UHFFFAOYSA-N
XLogP4.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-benzyl-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3682989
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
CID 75474791
N-(1H-benzimidazol-2-ylmethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 162668375
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158107
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 154073643
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(E)-3-hydroxyprop-1-enyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 102471634
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
ethyl (E)-2-[(4-methoxy-N-(4-methylphenyl)sulfonylanilino)methyl]but-2-enoate
CID 53381876

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 18079652) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(Cc2c(C)noc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is QCWBTUTWLDVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-5-11-19(12-6-14)27(23,24)22(13-20-15(2)21-26-16(20)3)17-7-9-18(25-4)10-8-17/h5-12H,13H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 18079652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).