5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide

C39H54N4O7S2 — CID 123767757

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCC(C)(C)OCCC1CC1C(C)(C)CCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C39H54N4O7S2/c1-24-11-13-31(36-26(3)42-49-28(36)5)22-34(24)51(44,45)40-18-16-38(7,8)33-21-30(33)15-20-48-39(9,10)17-19-41-52(46,47)35-23-32(14-12-25(35)2)37-27(4)43-50-29(37)6/h11-14,22-23,30,33,40-41H,15-21H2,1-10H3
InChIKeyGASVSJWKQKFMQI-UHFFFAOYSA-N
MW755.02 g/mol
LogP7.73
Rot. Bonds17

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide (PubChem CID 123767757) has the molecular formula C39H54N4O7S2 and a molecular weight of 755.02 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide
PubChem CID123767757
Molecular FormulaC39H54N4O7S2
Molecular Weight755.02 g/mol
Exact Mass754.34
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCC(C)(C)OCCC1CC1C(C)(C)CCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C39H54N4O7S2/c1-24-11-13-31(36-26(3)42-49-28(36)5)22-34(24)51(44,45)40-18-16-38(7,8)33-21-30(33)15-20-48-39(9,10)17-19-41-52(46,47)35-23-32(14-12-25(35)2)37-27(4)43-50-29(37)6/h11-14,22-23,30,33,40-41H,15-21H2,1-10H3
InChIKeyGASVSJWKQKFMQI-UHFFFAOYSA-N
XLogP7.73
TPSA153.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide
CID 123729542
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 56950423
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide
CID 144853740
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 20930695
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 53054316
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide (CID 123767757) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCC(C)(C)OCCC1CC1C(C)(C)CCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide?
The InChIKey is GASVSJWKQKFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H54N4O7S2/c1-24-11-13-31(36-26(3)42-49-28(36)5)22-34(24)51(44,45)40-18-16-38(7,8)33-21-30(33)15-20-48-39(9,10)17-19-41-52(46,47)35-23-32(14-12-25(35)2)37-27(4)43-50-29(37)6/h11-14,22-23,30,33,40-41H,15-21H2,1-10H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide has a molecular weight of 755.02 g/mol, XLogP of 7.73, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 123767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).