N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide

C18H29N3O4S — CID 55987245

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2(C)C)c1
InChIInChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-8-15(12-16)19-17(22)13-20-10-11-25-14-18(20,3)4/h7-9,12H,5-6,10-11,13-14H2,1-4H3,(H,19,22)
InChIKeyCAFYXXYVMVVMSN-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.77
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide (PubChem CID 55987245) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
PubChem CID55987245
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2(C)C)c1
InChIInChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-8-15(12-16)19-17(22)13-20-10-11-25-14-18(20,3)4/h7-9,12H,5-6,10-11,13-14H2,1-4H3,(H,19,22)
InChIKeyCAFYXXYVMVVMSN-UHFFFAOYSA-N
XLogP1.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499255
3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 124846408
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 43039662
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-[3-(diethylsulfamoyl)phenyl]-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55304406
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4810069
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide (CID 55987245) is N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2(C)C)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide?
The InChIKey is CAFYXXYVMVVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-5-21(6-2)26(23,24)16-9-7-8-15(12-16)19-17(22)13-20-10-11-25-14-18(20,3)4/h7-9,12H,5-6,10-11,13-14H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 55987245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).