5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide

C24H29N3O6S2 — CID 123370387

IUPAC5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(CC4CC4)cc3c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O6S2/c1-15-5-9-17(10-6-15)21-20(22(25)28)19-14-18(13-16-7-8-16)23(26-24(19)33-21)27(35(3,31)32)11-4-12-34(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28)
InChIKeyLSHKNKBDZZXFGH-UHFFFAOYSA-N
MW519.65 g/mol
LogP3.06
Rot. Bonds10

About 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide

5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123370387) has the molecular formula C24H29N3O6S2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123370387
Molecular FormulaC24H29N3O6S2
Molecular Weight519.65 g/mol
Exact Mass519.15
IUPAC Name5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(CC4CC4)cc3c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O6S2/c1-15-5-9-17(10-6-15)21-20(22(25)28)19-14-18(13-16-7-8-16)23(26-24(19)33-21)27(35(3,31)32)11-4-12-34(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28)
InChIKeyLSHKNKBDZZXFGH-UHFFFAOYSA-N
XLogP3.06
TPSA140.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 123370387) is 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide is Cc1ccc(-c2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(CC4CC4)cc3c2C(N)=O)cc1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is LSHKNKBDZZXFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S2/c1-15-5-9-17(10-6-15)21-20(22(25)28)19-14-18(13-16-7-8-16)23(26-24(19)33-21)27(35(3,31)32)11-4-12-34(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28).
What are the key properties of 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123370387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).