N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

C25H26N2O4S — CID 10138813

IUPACN-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCN(C)c1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C25H26N2O4S/c1-5-14-27(2)19-9-6-8-17(15-19)25-21-16-18(26-32(4,28)29)12-13-20(21)24-22(30-3)10-7-11-23(24)31-25/h5-13,15-16,25-26H,1,14H2,2-4H3
InChIKeyCEWLXUJBQCIPJI-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.84
Rot. Bonds7

About N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10138813) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10138813
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCN(C)c1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C25H26N2O4S/c1-5-14-27(2)19-9-6-8-17(15-19)25-21-16-18(26-32(4,28)29)12-13-20(21)24-22(30-3)10-7-11-23(24)31-25/h5-13,15-16,25-26H,1,14H2,2-4H3
InChIKeyCEWLXUJBQCIPJI-UHFFFAOYSA-N
XLogP4.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]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-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10138813) is N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCN(C)c1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is CEWLXUJBQCIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-5-14-27(2)19-9-6-8-17(15-19)25-21-16-18(26-32(4,28)29)12-13-20(21)24-22(30-3)10-7-11-23(24)31-25/h5-13,15-16,25-26H,1,14H2,2-4H3.
What are the key properties of N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10138813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).