(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide

C16H20N4O2S — CID 120920606

IUPAC(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-11-14(17-8-10-22-11)15(21)19-12-3-5-13(6-4-12)23-16-18-7-9-20(16)2/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyXLGJVSLZBOBMLK-RISCZKNCSA-N
MW332.43 g/mol
LogP1.89
Rot. Bonds4

About (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide (PubChem CID 120920606) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
PubChem CID120920606
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-11-14(17-8-10-22-11)15(21)19-12-3-5-13(6-4-12)23-16-18-7-9-20(16)2/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyXLGJVSLZBOBMLK-RISCZKNCSA-N
XLogP1.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
CID 55498030
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 120931862
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939459
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide (CID 120920606) is (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Sc2nccn2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The InChIKey is XLGJVSLZBOBMLK-RISCZKNCSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-14(17-8-10-22-11)15(21)19-12-3-5-13(6-4-12)23-16-18-7-9-20(16)2/h3-7,9,11,14,17H,8,10H2,1-2H3,(H,19,21)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120920606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).