N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C23H35N3O5S — CID 3240512

IUPACN-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCCCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C
InChIInChI=1S/C23H35N3O5S/c1-5-7-13-26(6-2)14-9-12-24-22(27)17-32(28,29)16-21-18(3)31-23(25-21)19-10-8-11-20(15-19)30-4/h8,10-11,15H,5-7,9,12-14,16-17H2,1-4H3,(H,24,27)
InChIKeyYIBXZOJJUVFCHT-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.20
Rot. Bonds14

About N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 3240512) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID3240512
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCCCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C
InChIInChI=1S/C23H35N3O5S/c1-5-7-13-26(6-2)14-9-12-24-22(27)17-32(28,29)16-21-18(3)31-23(25-21)19-10-8-11-20(15-19)30-4/h8,10-11,15H,5-7,9,12-14,16-17H2,1-4H3,(H,24,27)
InChIKeyYIBXZOJJUVFCHT-UHFFFAOYSA-N
XLogP3.20
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[bis(2-methylpropyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 46255303
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 6622245
ethyl 4-[[2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetyl]amino]benzoate
CID 20860736
N-(4-fluoro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860754
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20860717
1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
CID 159626458
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-1-(4-propylpiperazin-1-yl)ethanone
CID 20860779
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 3244986
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 20860703
1-(2,5-difluorophenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
CID 147995538
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-propylsulfanylpropyl)acetamide
CID 20860680
1-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 149071004

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 3240512) is N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is CCCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C.
What is the InChIKey of N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is YIBXZOJJUVFCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-5-7-13-26(6-2)14-9-12-24-22(27)17-32(28,29)16-21-18(3)31-23(25-21)19-10-8-11-20(15-19)30-4/h8,10-11,15H,5-7,9,12-14,16-17H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 465.62 g/mol, XLogP of 3.20, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 3240512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).