(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H24ClN3O5S — CID 120926431

IUPAC(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-4-24(20,21)18-12-6-5-11(9-13(12)22-3)17-15(19)14-10(2)23-8-7-16-14;/h5-6,9-10,14,16,18H,4,7-8H2,1-3H3,(H,17,19);1H/t10-,14+;/m1./s1
InChIKeyQXWCKUCVCUZCPG-LOSLGVLSSA-N
MW393.89 g/mol
LogP1.19
Rot. Bonds6

About (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120926431) has the molecular formula C15H24ClN3O5S and a molecular weight of 393.89 g/mol. Its IUPAC name is (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120926431
Molecular FormulaC15H24ClN3O5S
Molecular Weight393.89 g/mol
Exact Mass393.11
IUPAC Name(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl
InChIInChI=1S/C15H23N3O5S.ClH/c1-4-24(20,21)18-12-6-5-11(9-13(12)22-3)17-15(19)14-10(2)23-8-7-16-14;/h5-6,9-10,14,16,18H,4,7-8H2,1-3H3,(H,17,19);1H/t10-,14+;/m1./s1
InChIKeyQXWCKUCVCUZCPG-LOSLGVLSSA-N
XLogP1.19
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922520
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930349
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120926431) is (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl.
What is the InChIKey of (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is QXWCKUCVCUZCPG-LOSLGVLSSA-N. The full InChI is InChI=1S/C15H23N3O5S.ClH/c1-4-24(20,21)18-12-6-5-11(9-13(12)22-3)17-15(19)14-10(2)23-8-7-16-14;/h5-6,9-10,14,16,18H,4,7-8H2,1-3H3,(H,17,19);1H/t10-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 393.89 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).