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

C21H22N2O4S — CID 42822592

IUPACN-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1cc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)no1
InChIInChI=1S/C21H22N2O4S/c1-15-7-11-18(12-8-15)28(24,25)23(17-9-10-17)14-16-13-21(27-22-16)19-5-3-4-6-20(19)26-2/h3-8,11-13,17H,9-10,14H2,1-2H3
InChIKeyXNAACPVHWWKIHS-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.01
Rot. Bonds7

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

N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 42822592) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID42822592
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1cc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)no1
InChIInChI=1S/C21H22N2O4S/c1-15-7-11-18(12-8-15)28(24,25)23(17-9-10-17)14-16-13-21(27-22-16)19-5-3-4-6-20(19)26-2/h3-8,11-13,17H,9-10,14H2,1-2H3
InChIKeyXNAACPVHWWKIHS-UHFFFAOYSA-N
XLogP4.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]pentanamide
CID 46172189
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
3-tert-butyl-5-(2-methoxyphenyl)-1,2-oxazole
CID 129255453
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
N-cyclopropyl-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 42682590
N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 51070076
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 46009788
2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46111591

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide (CID 42822592) is N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide is COc1ccccc1-c1cc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)no1.
What is the InChIKey of N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is XNAACPVHWWKIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-7-11-18(12-8-15)28(24,25)23(17-9-10-17)14-16-13-21(27-22-16)19-5-3-4-6-20(19)26-2/h3-8,11-13,17H,9-10,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide?
N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42822592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).