(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide

C17H25N3O5S — CID 97256959

IUPAC(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C17H25N3O5S/c1-19(2)17(22)15-10-9-13(25-15)11-18-16(21)12-20(3)26(23,24)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyBKLGKPXWFOZDSJ-UKRRQHHQSA-N
MW383.47 g/mol
LogP0.06
Rot. Bonds7

About (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide

(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide (PubChem CID 97256959) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
PubChem CID97256959
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C17H25N3O5S/c1-19(2)17(22)15-10-9-13(25-15)11-18-16(21)12-20(3)26(23,24)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyBKLGKPXWFOZDSJ-UKRRQHHQSA-N
XLogP0.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 100712934
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
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CID 119429589
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
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CID 43047270
(2S,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
CID 97256952
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide (CID 97256959) is (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide is CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is BKLGKPXWFOZDSJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-19(2)17(22)15-10-9-13(25-15)11-18-16(21)12-20(3)26(23,24)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t13-,15-/m1/s1.
What are the key properties of (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide?
(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 97256959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).