3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H25N3O4S — CID 113143288

IUPAC3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(c2c(C)cccc2C(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C18H25N3O4S/c1-12(2)15-8-6-7-13(3)18(15)21(26(5,23)24)10-9-17(22)19-16-11-14(4)25-20-16/h6-8,11-12H,9-10H2,1-5H3,(H,19,20,22)
InChIKeyHESCITWIANVBSF-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.21
Rot. Bonds7

About 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113143288) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113143288
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(c2c(C)cccc2C(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C18H25N3O4S/c1-12(2)15-8-6-7-13(3)18(15)21(26(5,23)24)10-9-17(22)19-16-11-14(4)25-20-16/h6-8,11-12H,9-10H2,1-5H3,(H,19,20,22)
InChIKeyHESCITWIANVBSF-UHFFFAOYSA-N
XLogP3.21
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143240
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142224
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145297
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113143288) is 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN(c2c(C)cccc2C(C)C)S(C)(=O)=O)no1.
What is the InChIKey of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HESCITWIANVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12(2)15-8-6-7-13(3)18(15)21(26(5,23)24)10-9-17(22)19-16-11-14(4)25-20-16/h6-8,11-12H,9-10H2,1-5H3,(H,19,20,22).
What are the key properties of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113143288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).