N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide

C22H29N3O4S — CID 56581067

IUPACN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-18(16-24-11-13-29-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(10-8-19)30(23,27)28/h2-10,18H,11-17H2,1H3,(H2,23,27,28)
InChIKeyIHTDEIRKZIMQOT-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.63
Rot. Bonds8

About N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56581067) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
PubChem CID56581067
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-18(16-24-11-13-29-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(10-8-19)30(23,27)28/h2-10,18H,11-17H2,1H3,(H2,23,27,28)
InChIKeyIHTDEIRKZIMQOT-UHFFFAOYSA-N
XLogP1.63
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 56501375
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
CID 56542585
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide (CID 56581067) is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is IHTDEIRKZIMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-18(16-24-11-13-29-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(10-8-19)30(23,27)28/h2-10,18H,11-17H2,1H3,(H2,23,27,28).
What are the key properties of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide?
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56581067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).