4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide

C14H20N2O4S — CID 66267561

IUPAC4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H20N2O4S/c1-9-4-5-10(21(3,18)19)6-12(9)16-14(17)11-7-20-8-13(11)15-2/h4-6,11,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyUIOJMIVYPADPGO-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.57
Rot. Bonds4

About 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide

4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide (PubChem CID 66267561) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
PubChem CID66267561
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H20N2O4S/c1-9-4-5-10(21(3,18)19)6-12(9)16-14(17)11-7-20-8-13(11)15-2/h4-6,11,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyUIOJMIVYPADPGO-UHFFFAOYSA-N
XLogP0.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(2-methyl-5-nitrophenyl)oxolane-3-carboxamide
CID 66267175
2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 64824704
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(2-methoxy-5-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265957
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
4-bromo-2-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265243
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 66267139
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide (CID 66267561) is 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide?
The InChIKey is UIOJMIVYPADPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-4-5-10(21(3,18)19)6-12(9)16-14(17)11-7-20-8-13(11)15-2/h4-6,11,13,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide?
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66267561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).