N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C24H27N3O4S2 — CID 26973149

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C24H27N3O4S2/c1-26(18-19-7-9-21(10-8-19)27-11-13-31-14-12-27)24(28)20-4-2-6-23(16-20)33(29,30)25-17-22-5-3-15-32-22/h2-10,15-16,25H,11-14,17-18H2,1H3
InChIKeyKMNDENSEFIJAOG-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.34
Rot. Bonds8

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 26973149) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID26973149
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C24H27N3O4S2/c1-26(18-19-7-9-21(10-8-19)27-11-13-31-14-12-27)24(28)20-4-2-6-23(16-20)33(29,30)25-17-22-5-3-15-32-22/h2-10,15-16,25H,11-14,17-18H2,1H3
InChIKeyKMNDENSEFIJAOG-UHFFFAOYSA-N
XLogP3.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31327536
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55966910
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55463120
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 26973149) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KMNDENSEFIJAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-26(18-19-7-9-21(10-8-19)27-11-13-31-14-12-27)24(28)20-4-2-6-23(16-20)33(29,30)25-17-22-5-3-15-32-22/h2-10,15-16,25H,11-14,17-18H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 485.63 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 26973149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).