N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide

C15H22N4O5S — CID 125161188

IUPACN-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1
InChIInChI=1S/C15H22N4O5S/c1-16-14(20)11-4-3-5-12(8-11)18-15(21)17-9-13-10-19(6-7-24-13)25(2,22)23/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,16,20)(H2,17,18,21)/t13-/m1/s1
InChIKeyCVYCGSHBHHKADR-CYBMUJFWSA-N
MW370.43 g/mol
LogP-0.17
Rot. Bonds5

About N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide

N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide (PubChem CID 125161188) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
PubChem CID125161188
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1
InChIInChI=1S/C15H22N4O5S/c1-16-14(20)11-4-3-5-12(8-11)18-15(21)17-9-13-10-19(6-7-24-13)25(2,22)23/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,16,20)(H2,17,18,21)/t13-/m1/s1
InChIKeyCVYCGSHBHHKADR-CYBMUJFWSA-N
XLogP-0.17
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 79071437
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 118782940
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 154798666
1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide?
The IUPAC name of N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide (CID 125161188) is N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide is CNC(=O)c1cccc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1.
What is the InChIKey of N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide?
The InChIKey is CVYCGSHBHHKADR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-16-14(20)11-4-3-5-12(8-11)18-15(21)17-9-13-10-19(6-7-24-13)25(2,22)23/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,16,20)(H2,17,18,21)/t13-/m1/s1.
What are the key properties of N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide?
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide has a molecular weight of 370.43 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 125161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).