N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C23H32N2O6S — CID 665446

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O6S/c1-28-20-6-8-21(9-7-20)32(26,27)25(12-4-11-24-13-15-31-16-14-24)18-19-5-10-22(29-2)23(17-19)30-3/h5-10,17H,4,11-16,18H2,1-3H3
InChIKeyLQDRDRPBNJRSBA-UHFFFAOYSA-N
MW464.58 g/mol
LogP2.63
Rot. Bonds11

About N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 665446) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID665446
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O6S/c1-28-20-6-8-21(9-7-20)32(26,27)25(12-4-11-24-13-15-31-16-14-24)18-19-5-10-22(29-2)23(17-19)30-3/h5-10,17H,4,11-16,18H2,1-3H3
InChIKeyLQDRDRPBNJRSBA-UHFFFAOYSA-N
XLogP2.63
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 665446) is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is LQDRDRPBNJRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-28-20-6-8-21(9-7-20)32(26,27)25(12-4-11-24-13-15-31-16-14-24)18-19-5-10-22(29-2)23(17-19)30-3/h5-10,17H,4,11-16,18H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 464.58 g/mol, XLogP of 2.63, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).