5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide

C23H29N5O4S — CID 11619776

IUPAC5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H29N5O4S/c1-17-7-9-27(10-8-17)21-15-18(26-11-13-28(14-12-26)33(2,30)31)3-5-20(21)25-23(29)22-6-4-19(16-24)32-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
InChIKeyREJFXXBFQUSFTH-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.72
Rot. Bonds5

About 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 11619776) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID11619776
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H29N5O4S/c1-17-7-9-27(10-8-17)21-15-18(26-11-13-28(14-12-26)33(2,30)31)3-5-20(21)25-23(29)22-6-4-19(16-24)32-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
InChIKeyREJFXXBFQUSFTH-UHFFFAOYSA-N
XLogP2.72
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-Cyano-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
CID 11654827
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
5-cyano-N-(5-cyano-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11209405
5-cyano-N-(2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11231718
5-cyano-N-(4-fluoro-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11232236
5-cyano-N-(5-(methylsulfonamidomethyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11327103

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 11619776) is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide is CC1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is REJFXXBFQUSFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-17-7-9-27(10-8-17)21-15-18(26-11-13-28(14-12-26)33(2,30)31)3-5-20(21)25-23(29)22-6-4-19(16-24)32-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29).
What are the key properties of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 11619776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).