N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide

C24H29N3O3S — CID 16812485

IUPACN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide
SMILESCN(C)c1ccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-26(2)22-10-7-20(8-11-22)24(27-13-15-30-16-14-27)18-25-31(28,29)23-12-9-19-5-3-4-6-21(19)17-23/h3-12,17,24-25H,13-16,18H2,1-2H3
InChIKeyDCYUYUSLIBKNGH-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.26
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide (PubChem CID 16812485) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide
PubChem CID16812485
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide
SMILESCN(C)c1ccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-26(2)22-10-7-20(8-11-22)24(27-13-15-30-16-14-27)18-25-31(28,29)23-12-9-19-5-3-4-6-21(19)17-23/h3-12,17,24-25H,13-16,18H2,1-2H3
InChIKeyDCYUYUSLIBKNGH-UHFFFAOYSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide (CID 16812485) is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide is CN(C)c1ccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide?
The InChIKey is DCYUYUSLIBKNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-26(2)22-10-7-20(8-11-22)24(27-13-15-30-16-14-27)18-25-31(28,29)23-12-9-19-5-3-4-6-21(19)17-23/h3-12,17,24-25H,13-16,18H2,1-2H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide?
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 16812485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).