N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C26H29N3O4S2 — CID 24979544

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C26H29N3O4S2/c1-2-13-29(22-9-4-3-5-10-22)35(31,32)23-11-6-8-21(19-23)26(30)27-20-24(25-12-7-18-34-25)28-14-16-33-17-15-28/h2-12,18-19,24H,1,13-17,20H2,(H,27,30)
InChIKeyVTBFQBPKPLGSNS-UHFFFAOYSA-N
MW511.67 g/mol
LogP3.93
Rot. Bonds10

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 24979544) has the molecular formula C26H29N3O4S2 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID24979544
Molecular FormulaC26H29N3O4S2
Molecular Weight511.67 g/mol
Exact Mass511.16
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C26H29N3O4S2/c1-2-13-29(22-9-4-3-5-10-22)35(31,32)23-11-6-8-21(19-23)26(30)27-20-24(25-12-7-18-34-25)28-14-16-33-17-15-28/h2-12,18-19,24H,1,13-17,20H2,(H,27,30)
InChIKeyVTBFQBPKPLGSNS-UHFFFAOYSA-N
XLogP3.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide 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

3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 34668667
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 4113188
3-acetamido-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150838
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 24979544) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is VTBFQBPKPLGSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S2/c1-2-13-29(22-9-4-3-5-10-22)35(31,32)23-11-6-8-21(19-23)26(30)27-20-24(25-12-7-18-34-25)28-14-16-33-17-15-28/h2-12,18-19,24H,1,13-17,20H2,(H,27,30).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 511.67 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 24979544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).