N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

C26H33N3O4S — CID 20916943

IUPACN-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C26H33N3O4S/c1-5-29(6-2)17-7-16-27-25(30)21-10-12-22(13-11-21)26-28-24(20(4)33-26)18-34(31,32)23-14-8-19(3)9-15-23/h8-15H,5-7,16-18H2,1-4H3,(H,27,30)
InChIKeyKRBHCYPWHJQPAR-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.39
Rot. Bonds11

About N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 20916943) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
PubChem CID20916943
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C26H33N3O4S/c1-5-29(6-2)17-7-16-27-25(30)21-10-12-22(13-11-21)26-28-24(20(4)33-26)18-34(31,32)23-14-8-19(3)9-15-23/h8-15H,5-7,16-18H2,1-4H3,(H,27,30)
InChIKeyKRBHCYPWHJQPAR-UHFFFAOYSA-N
XLogP4.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277752
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018
4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92690760
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
N-methyl-3-[[[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzoyl]amino]methyl]pyridine-2-carboxamide
CID 71471733
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277759
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 20917007
4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 56963458
4-[5-ethyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 71471661

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (CID 20916943) is N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is CCN(CC)CCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is KRBHCYPWHJQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-5-29(6-2)17-7-16-27-25(30)21-10-12-22(13-11-21)26-28-24(20(4)33-26)18-34(31,32)23-14-8-19(3)9-15-23/h8-15H,5-7,16-18H2,1-4H3,(H,27,30).
What are the key properties of N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 483.63 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).