N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

C17H23N3O4S — CID 118767211

IUPACN-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC(C)c1cc(CN(C)C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)on1
InChIInChI=1S/C17H23N3O4S/c1-12(2)16-10-15(24-18-16)11-19(3)17(21)13-6-8-14(9-7-13)20(4)25(5,22)23/h6-10,12H,11H2,1-5H3
InChIKeyNQQXHMJGLSTOKE-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 118767211) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID118767211
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC(C)c1cc(CN(C)C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)on1
InChIInChI=1S/C17H23N3O4S/c1-12(2)16-10-15(24-18-16)11-19(3)17(21)13-6-8-14(9-7-13)20(4)25(5,22)23/h6-10,12H,11H2,1-5H3
InChIKeyNQQXHMJGLSTOKE-UHFFFAOYSA-N
XLogP2.47
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 91833624
2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
CID 118772025
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91834493
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 126440889
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
N-methyl-2-(4-oxoquinazolin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91770731
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
2-[(3-propan-2-yl-1,2-oxazol-5-yl)methylsulfonyl]acetic acid
CID 25248483
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 118767211) is N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is CC(C)c1cc(CN(C)C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)on1.
What is the InChIKey of N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is NQQXHMJGLSTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12(2)16-10-15(24-18-16)11-19(3)17(21)13-6-8-14(9-7-13)20(4)25(5,22)23/h6-10,12H,11H2,1-5H3.
What are the key properties of N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118767211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).