1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide

C19H20N2O4S — CID 99822647

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc([C@H](NS(=O)(=O)Cc2noc3ccccc23)C2CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-10-8-14(9-11-15)19(13-6-7-13)21-26(22,23)12-17-16-4-2-3-5-18(16)25-20-17/h2-5,8-11,13,19,21H,6-7,12H2,1H3/t19-/m1/s1
InChIKeyZONNUEZUJMMKML-LJQANCHMSA-N
MW372.45 g/mol
LogP3.41
Rot. Bonds7

About 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 99822647) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID99822647
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc([C@H](NS(=O)(=O)Cc2noc3ccccc23)C2CC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-10-8-14(9-11-15)19(13-6-7-13)21-26(22,23)12-17-16-4-2-3-5-18(16)25-20-17/h2-5,8-11,13,19,21H,6-7,12H2,1H3/t19-/m1/s1
InChIKeyZONNUEZUJMMKML-LJQANCHMSA-N
XLogP3.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide (CID 99822647) is 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc([C@H](NS(=O)(=O)Cc2noc3ccccc23)C2CC2)cc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is ZONNUEZUJMMKML-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-15-10-8-14(9-11-15)19(13-6-7-13)21-26(22,23)12-17-16-4-2-3-5-18(16)25-20-17/h2-5,8-11,13,19,21H,6-7,12H2,1H3/t19-/m1/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 99822647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).