(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid

C19H21NO5S — CID 177365220

IUPAC(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid
SMILESCS(=O)(=O)N[C@H]1CO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)O)C1
InChIInChI=1S/C19H21NO5S/c1-26(23,24)20-17-12-19(18(21)22,25-13-17)11-14-6-5-9-16(10-14)15-7-3-2-4-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)/t17-,19+/m1/s1
InChIKeyZESIBVUUKPQJHE-MJGOQNOKSA-N
MW375.45 g/mol
LogP2.06
Rot. Bonds6

About (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid

(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid (PubChem CID 177365220) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid
PubChem CID177365220
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid
SMILESCS(=O)(=O)N[C@H]1CO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)O)C1
InChIInChI=1S/C19H21NO5S/c1-26(23,24)20-17-12-19(18(21)22,25-13-17)11-14-6-5-9-16(10-14)15-7-3-2-4-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)/t17-,19+/m1/s1
InChIKeyZESIBVUUKPQJHE-MJGOQNOKSA-N
XLogP2.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
CID 171504874
cis-(1R,3S)-3-(methanesulfonamido)-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 171504737
cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504776
(1-methylcyclopropyl)methyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461947
N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
CID 137461172
3-(methanesulfonamido)-N-methoxy-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504775
cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 171504734
tert-butyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461347
ethyl 2-[(5-chloro-2,4-difluorophenyl)methyl]-4-(methanesulfonamido)oxolane-2-carboxylate
CID 172613288
N-[2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 137461974
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid (CID 177365220) is (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid is CS(=O)(=O)N[C@H]1CO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid?
The InChIKey is ZESIBVUUKPQJHE-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-26(23,24)20-17-12-19(18(21)22,25-13-17)11-14-6-5-9-16(10-14)15-7-3-2-4-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)/t17-,19+/m1/s1.
What are the key properties of (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid?
(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 177365220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).