(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide

C16H23N3O4S — CID 120923924

IUPAC(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-11-15(17-8-9-23-11)16(20)19-13-4-6-14(7-5-13)24(21,22)18-10-12-2-3-12/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyROITXRJSBGDFGY-ABAIWWIYSA-N
MW353.44 g/mol
LogP0.69
Rot. Bonds6

About (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120923924) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120923924
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-11-15(17-8-9-23-11)16(20)19-13-4-6-14(7-5-13)24(21,22)18-10-12-2-3-12/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyROITXRJSBGDFGY-ABAIWWIYSA-N
XLogP0.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120928111
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120934345
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 119287765
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120923924) is (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is ROITXRJSBGDFGY-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11-15(17-8-9-23-11)16(20)19-13-4-6-14(7-5-13)24(21,22)18-10-12-2-3-12/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120923924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).