N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

C17H23N3O5S — CID 113147341

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)c1
InChIInChI=1S/C17H23N3O5S/c1-13-11-16(19-25-13)20(26(3,22)23)10-8-17(21)18-9-7-14-5-4-6-15(12-14)24-2/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeyPTXBHKWMPLTSMU-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.51
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (PubChem CID 113147341) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
PubChem CID113147341
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)c1
InChIInChI=1S/C17H23N3O5S/c1-13-11-16(19-25-13)20(26(3,22)23)10-8-17(21)18-9-7-14-5-4-6-15(12-14)24-2/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeyPTXBHKWMPLTSMU-UHFFFAOYSA-N
XLogP1.51
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157773
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113153832
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (CID 113147341) is N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is COc1cccc(CCNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The InChIKey is PTXBHKWMPLTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-13-11-16(19-25-13)20(26(3,22)23)10-8-17(21)18-9-7-14-5-4-6-15(12-14)24-2/h4-6,11-12H,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide has a molecular weight of 381.45 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is sourced from PubChem (CID 113147341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).