N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C27H32N2O4S — CID 46764001

IUPACN-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1CCCC1=O
InChIInChI=1S/C27H32N2O4S/c1-33-25-9-8-23(14-24(25)29-10-2-3-26(29)30)34(31,32)28-22-6-4-21(5-7-22)27-15-18-11-19(16-27)13-20(12-18)17-27/h4-9,14,18-20,28H,2-3,10-13,15-17H2,1H3
InChIKeyRASODLXLFMGHAC-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 46764001) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID46764001
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1CCCC1=O
InChIInChI=1S/C27H32N2O4S/c1-33-25-9-8-23(14-24(25)29-10-2-3-26(29)30)34(31,32)28-22-6-4-21(5-7-22)27-15-18-11-19(16-27)13-20(12-18)17-27/h4-9,14,18-20,28H,2-3,10-13,15-17H2,1H3
InChIKeyRASODLXLFMGHAC-UHFFFAOYSA-N
XLogP5.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 92676550
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
N-[4-(diethylaminomethyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28636471
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-acetyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 39873991
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 124832613

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 46764001) is N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RASODLXLFMGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-33-25-9-8-23(14-24(25)29-10-2-3-26(29)30)34(31,32)28-22-6-4-21(5-7-22)27-15-18-11-19(16-27)13-20(12-18)17-27/h4-9,14,18-20,28H,2-3,10-13,15-17H2,1H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 46764001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).