N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide

C15H23N3O4S — CID 119688772

IUPACN-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)18-23(20,21)12-6-4-5-11(9-12)17-14(19)13-10-22-8-7-16-13/h4-6,9,13,16,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYTVUSULLNNVIRV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.69
Rot. Bonds4

About N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide (PubChem CID 119688772) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
PubChem CID119688772
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)18-23(20,21)12-6-4-5-11(9-12)17-14(19)13-10-22-8-7-16-13/h4-6,9,13,16,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYTVUSULLNNVIRV-UHFFFAOYSA-N
XLogP0.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119730948
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[3-(tert-butylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270871
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide (CID 119688772) is N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2COCCN2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide?
The InChIKey is YTVUSULLNNVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,3)18-23(20,21)12-6-4-5-11(9-12)17-14(19)13-10-22-8-7-16-13/h4-6,9,13,16,18H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119688772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).