N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide

C16H23N3O5S — CID 75463883

IUPACN-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H23N3O5S/c1-19(9-8-17-25(2,22)23)16(21)12-5-3-6-13(11-12)18-15(20)14-7-4-10-24-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyZOHNMIKQMJNNLK-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.43
Rot. Bonds7

About N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 75463883) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID75463883
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H23N3O5S/c1-19(9-8-17-25(2,22)23)16(21)12-5-3-6-13(11-12)18-15(20)14-7-4-10-24-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyZOHNMIKQMJNNLK-UHFFFAOYSA-N
XLogP0.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 42890216
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46531936
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 75463883) is N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide is CN(CCNS(C)(=O)=O)C(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ZOHNMIKQMJNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-19(9-8-17-25(2,22)23)16(21)12-5-3-6-13(11-12)18-15(20)14-7-4-10-24-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 75463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).