N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C23H30N2O4S — CID 56500850

IUPACN-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C23H30N2O4S/c1-19(16-24-12-14-29-15-13-24)25(17-20-6-4-3-5-7-20)23(26)22-10-8-21(9-11-22)18-30(2,27)28/h3-11,19H,12-18H2,1-2H3
InChIKeyBQXAMQBFMNMSCM-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.59
Rot. Bonds8

About N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 56500850) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID56500850
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C23H30N2O4S/c1-19(16-24-12-14-29-15-13-24)25(17-20-6-4-3-5-7-20)23(26)22-10-8-21(9-11-22)18-30(2,27)28/h3-11,19H,12-18H2,1-2H3
InChIKeyBQXAMQBFMNMSCM-UHFFFAOYSA-N
XLogP2.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56500710
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 56501228
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 56500850) is N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is BQXAMQBFMNMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-19(16-24-12-14-29-15-13-24)25(17-20-6-4-3-5-7-20)23(26)22-10-8-21(9-11-22)18-30(2,27)28/h3-11,19H,12-18H2,1-2H3.
What are the key properties of N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 56500850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).