N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide

C13H19N3O4S — CID 119802655

IUPACN-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C13H19N3O4S/c1-9-3-4-10(16-21(2,18)19)11(7-9)15-13(17)12-8-14-5-6-20-12/h3-4,7,12,14,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDAHIEHHMMOERBW-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.29
Rot. Bonds4

About N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide

N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide (PubChem CID 119802655) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
PubChem CID119802655
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C13H19N3O4S/c1-9-3-4-10(16-21(2,18)19)11(7-9)15-13(17)12-8-14-5-6-20-12/h3-4,7,12,14,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDAHIEHHMMOERBW-UHFFFAOYSA-N
XLogP0.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
N-(2-fluoro-4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675290
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
CID 119725786
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-(2-bromo-4-chlorophenyl)morpholine-2-carboxamide
CID 81263696

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide (CID 119802655) is N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide is Cc1ccc(NS(C)(=O)=O)c(NC(=O)C2CNCCO2)c1.
What is the InChIKey of N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide?
The InChIKey is DAHIEHHMMOERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-3-4-10(16-21(2,18)19)11(7-9)15-13(17)12-8-14-5-6-20-12/h3-4,7,12,14,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide?
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119802655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).