N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide

C17H23N3O5S — CID 113145043

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
SMILESCc1cc(NC(=O)CCN(c2ccccc2OC(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C17H23N3O5S/c1-12(2)24-15-8-6-5-7-14(15)20(26(4,22)23)10-9-17(21)18-16-11-13(3)25-19-16/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyHXSXSKUZEPIFBA-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.57
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide (PubChem CID 113145043) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
PubChem CID113145043
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
SMILESCc1cc(NC(=O)CCN(c2ccccc2OC(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C17H23N3O5S/c1-12(2)24-15-8-6-5-7-14(15)20(26(4,22)23)10-9-17(21)18-16-11-13(3)25-19-16/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyHXSXSKUZEPIFBA-UHFFFAOYSA-N
XLogP2.57
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142224
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143288
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143240
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145297
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide (CID 113145043) is N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide is Cc1cc(NC(=O)CCN(c2ccccc2OC(C)C)S(C)(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The InChIKey is HXSXSKUZEPIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12(2)24-15-8-6-5-7-14(15)20(26(4,22)23)10-9-17(21)18-16-11-13(3)25-19-16/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide has a molecular weight of 381.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 113145043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).