(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide

C15H22N2O4S — CID 129479570

IUPAC(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CCCO[C@H]2C)ccc1S(N)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-10-8-12(5-6-14(10)22(16,19)20)9-17-15(18)13-4-3-7-21-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)(H2,16,19,20)/t11-,13-/m0/s1
InChIKeyMYCVZWQNRVFONV-AAEUAGOBSA-N
MW326.42 g/mol
LogP1.07
Rot. Bonds4

About (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide

(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide (PubChem CID 129479570) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
PubChem CID129479570
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CCCO[C@H]2C)ccc1S(N)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-10-8-12(5-6-14(10)22(16,19)20)9-17-15(18)13-4-3-7-21-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)(H2,16,19,20)/t11-,13-/m0/s1
InChIKeyMYCVZWQNRVFONV-AAEUAGOBSA-N
XLogP1.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
CID 43246848
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
CID 128995855
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide (CID 129479570) is (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide is Cc1cc(CNC(=O)[C@H]2CCCO[C@H]2C)ccc1S(N)(=O)=O.
What is the InChIKey of (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide?
The InChIKey is MYCVZWQNRVFONV-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-8-12(5-6-14(10)22(16,19)20)9-17-15(18)13-4-3-7-21-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)(H2,16,19,20)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide?
(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 129479570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).