N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide

C26H23N3O4S — CID 46947893

IUPACN-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4S/c1-26(25(31)28-34(32,33)23-9-5-6-20(16-23)18-27)14-15-29(26)24(30)17-19-10-12-22(13-11-19)21-7-3-2-4-8-21/h2-13,16H,14-15,17H2,1H3,(H,28,31)
InChIKeyCOLRFJINDYCRGK-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.26
Rot. Bonds6

About N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide

N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide (PubChem CID 46947893) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
PubChem CID46947893
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4S/c1-26(25(31)28-34(32,33)23-9-5-6-20(16-23)18-27)14-15-29(26)24(30)17-19-10-12-22(13-11-19)21-7-3-2-4-8-21/h2-13,16H,14-15,17H2,1H3,(H,28,31)
InChIKeyCOLRFJINDYCRGK-UHFFFAOYSA-N
XLogP3.26
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
CID 46948163
N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
CID 46947985
1-[2-(2-chlorophenyl)acetyl]-N-(4-cyanophenyl)sulfonyl-2-methylazetidine-2-carboxamide
CID 46943974
1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
CID 70558650
N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
CID 46944100
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]urea
CID 22244590
N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 56814800
trans-(1S,2S)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306951
cis-(1S,2R)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306950
1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide (CID 46947893) is N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide is CC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide?
The InChIKey is COLRFJINDYCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-26(25(31)28-34(32,33)23-9-5-6-20(16-23)18-27)14-15-29(26)24(30)17-19-10-12-22(13-11-19)21-7-3-2-4-8-21/h2-13,16H,14-15,17H2,1H3,(H,28,31).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide?
N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide is sourced from PubChem (CID 46947893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).