4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide

C24H26N4O3S — CID 146148796

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(19-8-6-18(7-9-19)23-26-22(27-28-23)17-4-5-17)25-20-3-1-2-16(14-20)15-32(30)21-10-12-31-13-11-21/h1-3,6-9,14,17,21H,4-5,10-13,15H2,(H,25,29)(H,26,27,28)
InChIKeyFIOMCHRZWNNHDT-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.03
Rot. Bonds7

About 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide (PubChem CID 146148796) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
PubChem CID146148796
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(19-8-6-18(7-9-19)23-26-22(27-28-23)17-4-5-17)25-20-3-1-2-16(14-20)15-32(30)21-10-12-31-13-11-21/h1-3,6-9,14,17,21H,4-5,10-13,15H2,(H,25,29)(H,26,27,28)
InChIKeyFIOMCHRZWNNHDT-UHFFFAOYSA-N
XLogP4.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86956720
1-benzyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]triazole-4-carboxamide
CID 86956725
2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
CID 86956969
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167925038
4-(4-ethylphenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-4-oxobutanamide
CID 86958714
1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86956967
5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 86956906
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 166182463
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
2-[3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]phenyl]acetic acid
CID 167853726
5-fluoro-3-methyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 86956771

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide (CID 146148796) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide is O=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide?
The InChIKey is FIOMCHRZWNNHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(19-8-6-18(7-9-19)23-26-22(27-28-23)17-4-5-17)25-20-3-1-2-16(14-20)15-32(30)21-10-12-31-13-11-21/h1-3,6-9,14,17,21H,4-5,10-13,15H2,(H,25,29)(H,26,27,28).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide is sourced from PubChem (CID 146148796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).