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

C18H22N2O5S — CID 53060006

IUPACN-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CC1
InChIInChI=1S/C18H22N2O5S/c1-11-12(2)20-25-18(11)13-4-7-15(24-3)16(10-13)26(22,23)9-8-17(21)19-14-5-6-14/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,19,21)
InChIKeyQBRDVGGHIGBGME-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.41
Rot. Bonds7

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

N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (PubChem CID 53060006) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
PubChem CID53060006
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CC1
InChIInChI=1S/C18H22N2O5S/c1-11-12(2)20-25-18(11)13-4-7-15(24-3)16(10-13)26(22,23)9-8-17(21)19-14-5-6-14/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,19,21)
InChIKeyQBRDVGGHIGBGME-UHFFFAOYSA-N
XLogP2.41
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The IUPAC name of N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (CID 53060006) is N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The canonical SMILES for N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The InChIKey is QBRDVGGHIGBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-11-12(2)20-25-18(11)13-4-7-15(24-3)16(10-13)26(22,23)9-8-17(21)19-14-5-6-14/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide has a molecular weight of 378.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is sourced from PubChem (CID 53060006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).