N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C16H15N3O4S — CID 46408539

IUPACN-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1
InChIInChI=1S/C16H15N3O4S/c17-11-12-4-3-5-13(10-12)18-16(20)14-6-7-15(23-14)24(21,22)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H,18,20)
InChIKeyRKPPPUMECIMPTN-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.19
Rot. Bonds4

About N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 46408539) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID46408539
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1
InChIInChI=1S/C16H15N3O4S/c17-11-12-4-3-5-13(10-12)18-16(20)14-6-7-15(23-14)24(21,22)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H,18,20)
InChIKeyRKPPPUMECIMPTN-UHFFFAOYSA-N
XLogP2.19
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-(3-cyanophenyl)-4-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxamide
CID 170699594
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
CID 110700002
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
CID 9328320
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46404196
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 46408539) is N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is RKPPPUMECIMPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-11-12-4-3-5-13(10-12)18-16(20)14-6-7-15(23-14)24(21,22)19-8-1-2-9-19/h3-7,10H,1-2,8-9H2,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46408539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).