N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide

C24H30N4O3S2 — CID 2003464

IUPACN,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)c1
InChIInChI=1S/C24H30N4O3S2/c1-26(2)33(29,30)22-11-6-8-20(18-22)23-19-32-24(25-21-9-4-3-5-10-21)28(23)13-7-12-27-14-16-31-17-15-27/h3-6,8-11,18-19H,7,12-17H2,1-2H3/b25-24-
InChIKeyYSDYEFMJTGQKQV-IZHYLOQSSA-N
MW486.66 g/mol
LogP3.42
Rot. Bonds8

About N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide

N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 2003464) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID2003464
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC NameN,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)c1
InChIInChI=1S/C24H30N4O3S2/c1-26(2)33(29,30)22-11-6-8-20(18-22)23-19-32-24(25-21-9-4-3-5-10-21)28(23)13-7-12-27-14-16-31-17-15-27/h3-6,8-11,18-19H,7,12-17H2,1-2H3/b25-24-
InChIKeyYSDYEFMJTGQKQV-IZHYLOQSSA-N
XLogP3.42
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide (CID 2003464) is N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is YSDYEFMJTGQKQV-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-26(2)33(29,30)22-11-6-8-20(18-22)23-19-32-24(25-21-9-4-3-5-10-21)28(23)13-7-12-27-14-16-31-17-15-27/h3-6,8-11,18-19H,7,12-17H2,1-2H3/b25-24-.
What are the key properties of N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 486.66 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 2003464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).