2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

C18H25N3O4S — CID 144773668

IUPAC2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCCS(=O)NC(CC(C)C)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C18H25N3O4S/c1-5-26(23)21-15(8-12(2)3)18(22)20-13-6-7-14(16(9-13)24-4)17-10-19-11-25-17/h6-7,9-12,15,21H,5,8H2,1-4H3,(H,20,22)
InChIKeyOFWPISUPUHMTPS-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.98
Rot. Bonds9

About 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 144773668) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID144773668
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCCS(=O)NC(CC(C)C)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C18H25N3O4S/c1-5-26(23)21-15(8-12(2)3)18(22)20-13-6-7-14(16(9-13)24-4)17-10-19-11-25-17/h6-7,9-12,15,21H,5,8H2,1-4H3,(H,20,22)
InChIKeyOFWPISUPUHMTPS-UHFFFAOYSA-N
XLogP2.98
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
[(2R)-1-[3-bromo-4-(1,3-oxazol-5-yl)anilino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 141435378
2-(3-bromophenyl)-3-(4-bromophenyl)-N,N'-bis[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]butanediamide
CID 90177461
2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
CID 121363401
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
tert-butyl N-[(2R)-1-[2-formyl-5-methoxy-4-(1,3-oxazol-5-yl)anilino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 121255931
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (CID 144773668) is 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is CCS(=O)NC(CC(C)C)C(=O)Nc1ccc(-c2cnco2)c(OC)c1.
What is the InChIKey of 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is OFWPISUPUHMTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-5-26(23)21-15(8-12(2)3)18(22)20-13-6-7-14(16(9-13)24-4)17-10-19-11-25-17/h6-7,9-12,15,21H,5,8H2,1-4H3,(H,20,22).
What are the key properties of 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 379.48 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 144773668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).