4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C23H31N3O4S — CID 42920355

IUPAC4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-18(2)24-31(28,29)22-11-7-20(8-12-22)23(27)25(3)17-19-5-9-21(10-6-19)26-13-15-30-16-14-26/h5-12,18,24H,4,13-17H2,1-3H3
InChIKeyOALJMDPFVMPCFE-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.87
Rot. Bonds8

About 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 42920355) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID42920355
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-18(2)24-31(28,29)22-11-7-20(8-12-22)23(27)25(3)17-19-5-9-21(10-6-19)26-13-15-30-16-14-26/h5-12,18,24H,4,13-17H2,1-3H3
InChIKeyOALJMDPFVMPCFE-UHFFFAOYSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.87
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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Related Compounds

(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 154839058
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-(1,3-benzothiazol-2-ylmethyl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46787802
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 42920355) is 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is OALJMDPFVMPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-18(2)24-31(28,29)22-11-7-20(8-12-22)23(27)25(3)17-19-5-9-21(10-6-19)26-13-15-30-16-14-26/h5-12,18,24H,4,13-17H2,1-3H3.
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 42920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).