N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide

C27H36F2N4O6S — CID 134296645

IUPACN-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)CNS(C)(=O)=O)C(=O)C3(C)C)oc12
InChIInChI=1S/C27H36F2N4O6S/c1-25(2,3)17-13-18(16-7-9-27(28,29)10-8-16)31-19-14-20(39-22(17)19)23(35)33-12-11-32(24(36)26(33,4)5)21(34)15-30-40(6,37)38/h13-14,16,30H,7-12,15H2,1-6H3
InChIKeyFWACXMWOTJCNAU-UHFFFAOYSA-N
MW582.67 g/mol
LogP3.56
Rot. Bonds5

About N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 134296645) has the molecular formula C27H36F2N4O6S and a molecular weight of 582.67 g/mol. Its IUPAC name is N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID134296645
Molecular FormulaC27H36F2N4O6S
Molecular Weight582.67 g/mol
Exact Mass582.23
IUPAC NameN-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)CNS(C)(=O)=O)C(=O)C3(C)C)oc12
InChIInChI=1S/C27H36F2N4O6S/c1-25(2,3)17-13-18(16-7-9-27(28,29)10-8-16)31-19-14-20(39-22(17)19)23(35)33-12-11-32(24(36)26(33,4)5)21(34)15-30-40(6,37)38/h13-14,16,30H,7-12,15H2,1-6H3
InChIKeyFWACXMWOTJCNAU-UHFFFAOYSA-N
XLogP3.56
TPSA129.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.67
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 134296645) is N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)CNS(C)(=O)=O)C(=O)C3(C)C)oc12.
What is the InChIKey of N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is FWACXMWOTJCNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N4O6S/c1-25(2,3)17-13-18(16-7-9-27(28,29)10-8-16)31-19-14-20(39-22(17)19)23(35)33-12-11-32(24(36)26(33,4)5)21(34)15-30-40(6,37)38/h13-14,16,30H,7-12,15H2,1-6H3.
What are the key properties of N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 582.67 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 134296645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).