N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide

C17H15N3O5S — CID 46947985

IUPACN-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccco1
InChIInChI=1S/C17H15N3O5S/c1-17(7-8-20(17)15(21)14-6-3-9-25-14)16(22)19-26(23,24)13-5-2-4-12(10-13)11-18/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyBUHGBTKEPVWNHG-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.26
Rot. Bonds4

About N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide

N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide (PubChem CID 46947985) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
PubChem CID46947985
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccco1
InChIInChI=1S/C17H15N3O5S/c1-17(7-8-20(17)15(21)14-6-3-9-25-14)16(22)19-26(23,24)13-5-2-4-12(10-13)11-18/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyBUHGBTKEPVWNHG-UHFFFAOYSA-N
XLogP1.26
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
CID 46948163
N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
CID 46947893
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
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
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690
4-[[3-(furan-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 3233444
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 115304710

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide (CID 46947985) is N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide is CC1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccco1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide?
The InChIKey is BUHGBTKEPVWNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-17(7-8-20(17)15(21)14-6-3-9-25-14)16(22)19-26(23,24)13-5-2-4-12(10-13)11-18/h2-6,9-10H,7-8H2,1H3,(H,19,22).
What are the key properties of N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide?
N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide is sourced from PubChem (CID 46947985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).