N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C16H22N2O5S — CID 110315686

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC2CN(C3CC3)C(=O)O2)c(C)c1
InChIInChI=1S/C16H22N2O5S/c1-10-6-13(22-3)7-11(2)15(10)24(20,21)17-8-14-9-18(12-4-5-12)16(19)23-14/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyRIMMBCFKGNICQT-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.57
Rot. Bonds6

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 110315686) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID110315686
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC2CN(C3CC3)C(=O)O2)c(C)c1
InChIInChI=1S/C16H22N2O5S/c1-10-6-13(22-3)7-11(2)15(10)24(20,21)17-8-14-9-18(12-4-5-12)16(19)23-14/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyRIMMBCFKGNICQT-UHFFFAOYSA-N
XLogP1.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110315632
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110315671
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110634121
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-methoxybenzamide
CID 110315564
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974453
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110315678
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110634107
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110634079
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110710426
N-(4-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 66108014

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 110315686) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCC2CN(C3CC3)C(=O)O2)c(C)c1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is RIMMBCFKGNICQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-10-6-13(22-3)7-11(2)15(10)24(20,21)17-8-14-9-18(12-4-5-12)16(19)23-14/h6-7,12,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 110315686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).