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

C16H20N2O6S — CID 110634107

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1S(C)(=O)=O
InChIInChI=1S/C16H20N2O6S/c1-23-13-6-3-10(7-14(13)25(2,21)22)15(19)17-8-12-9-18(11-4-5-11)16(20)24-12/h3,6-7,11-12H,4-5,8-9H2,1-2H3,(H,17,19)
InChIKeyYXOURKRYVVIPPF-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.81
Rot. Bonds6

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

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide (PubChem CID 110634107) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide
PubChem CID110634107
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1S(C)(=O)=O
InChIInChI=1S/C16H20N2O6S/c1-23-13-6-3-10(7-14(13)25(2,21)22)15(19)17-8-12-9-18(11-4-5-11)16(20)24-12/h3,6-7,11-12H,4-5,8-9H2,1-2H3,(H,17,19)
InChIKeyYXOURKRYVVIPPF-UHFFFAOYSA-N
XLogP0.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-methoxybenzamide
CID 110315564
4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110315571
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-methoxy-5-phenylbenzamide
CID 110409409
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylbenzamide
CID 110315613
3,4-dimethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920432
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110625200
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3439338
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110315686
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide (CID 110634107) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide is COc1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1S(C)(=O)=O.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide?
The InChIKey is YXOURKRYVVIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-23-13-6-3-10(7-14(13)25(2,21)22)15(19)17-8-12-9-18(11-4-5-11)16(20)24-12/h3,6-7,11-12H,4-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-3-methylsulfonylbenzamide is sourced from PubChem (CID 110634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).