N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide

C31H35N3O7S — CID 69313294

IUPACN-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide
SMILESCOc1ccc(CS(=O)(=O)c2ccc(N3CCC(NC(=O)C4(NC(=O)c5ccco5)CCCCC4)C(=O)C3)cc2)cc1
InChIInChI=1S/C31H35N3O7S/c1-40-24-11-7-22(8-12-24)21-42(38,39)25-13-9-23(10-14-25)34-18-15-26(27(35)20-34)32-30(37)31(16-3-2-4-17-31)33-29(36)28-6-5-19-41-28/h5-14,19,26H,2-4,15-18,20-21H2,1H3,(H,32,37)(H,33,36)
InChIKeyFQRUSTWRRLTYIV-UHFFFAOYSA-N
MW593.70 g/mol
LogP3.66
Rot. Bonds9

About N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide

N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide (PubChem CID 69313294) has the molecular formula C31H35N3O7S and a molecular weight of 593.70 g/mol. Its IUPAC name is N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide
PubChem CID69313294
Molecular FormulaC31H35N3O7S
Molecular Weight593.70 g/mol
Exact Mass593.22
IUPAC NameN-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide
SMILESCOc1ccc(CS(=O)(=O)c2ccc(N3CCC(NC(=O)C4(NC(=O)c5ccco5)CCCCC4)C(=O)C3)cc2)cc1
InChIInChI=1S/C31H35N3O7S/c1-40-24-11-7-22(8-12-24)21-42(38,39)25-13-9-23(10-14-25)34-18-15-26(27(35)20-34)32-30(37)31(16-3-2-4-17-31)33-29(36)28-6-5-19-41-28/h5-14,19,26H,2-4,15-18,20-21H2,1H3,(H,32,37)(H,33,36)
InChIKeyFQRUSTWRRLTYIV-UHFFFAOYSA-N
XLogP3.66
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.70
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide 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-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide?
The IUPAC name of N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide (CID 69313294) is N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide is COc1ccc(CS(=O)(=O)c2ccc(N3CCC(NC(=O)C4(NC(=O)c5ccco5)CCCCC4)C(=O)C3)cc2)cc1.
What is the InChIKey of N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide?
The InChIKey is FQRUSTWRRLTYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O7S/c1-40-24-11-7-22(8-12-24)21-42(38,39)25-13-9-23(10-14-25)34-18-15-26(27(35)20-34)32-30(37)31(16-3-2-4-17-31)33-29(36)28-6-5-19-41-28/h5-14,19,26H,2-4,15-18,20-21H2,1H3,(H,32,37)(H,33,36).
What are the key properties of N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide?
N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 593.70 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 69313294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).