N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide

C20H19N3O4S — CID 46948163

IUPACN-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-20(10-11-23(20)18(24)13-15-6-3-2-4-7-15)19(25)22-28(26,27)17-9-5-8-16(12-17)14-21/h2-9,12H,10-11,13H2,1H3,(H,22,25)
InChIKeyVATCJSQEIZTJRK-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.60
Rot. Bonds5

About N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide

N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide (PubChem CID 46948163) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
PubChem CID46948163
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-20(10-11-23(20)18(24)13-15-6-3-2-4-7-15)19(25)22-28(26,27)17-9-5-8-16(12-17)14-21/h2-9,12H,10-11,13H2,1H3,(H,22,25)
InChIKeyVATCJSQEIZTJRK-UHFFFAOYSA-N
XLogP1.60
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
CID 46947893
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-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide
CID 46944119
N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
CID 46944100
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide (CID 46948163) is N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide is CC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)Cc1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide?
The InChIKey is VATCJSQEIZTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-20(10-11-23(20)18(24)13-15-6-3-2-4-7-15)19(25)22-28(26,27)17-9-5-8-16(12-17)14-21/h2-9,12H,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide?
N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 1.60, 5 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-phenylacetyl)azetidine-2-carboxamide is sourced from PubChem (CID 46948163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).