2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide

C16H18ClN3O5S — CID 7217401

IUPAC2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccon1
InChIInChI=1S/C16H18ClN3O5S/c17-12-3-5-14(6-4-12)26(22,23)20(10-13-2-1-8-24-13)11-16(21)18-15-7-9-25-19-15/h3-7,9,13H,1-2,8,10-11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyGDSVQCXXNVHMOK-CYBMUJFWSA-N
MW399.86 g/mol
LogP2.14
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 7217401) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID7217401
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccon1
InChIInChI=1S/C16H18ClN3O5S/c17-12-3-5-14(6-4-12)26(22,23)20(10-13-2-1-8-24-13)11-16(21)18-15-7-9-25-19-15/h3-7,9,13H,1-2,8,10-11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyGDSVQCXXNVHMOK-CYBMUJFWSA-N
XLogP2.14
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4163444
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
CID 4199477
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide (CID 7217401) is 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide is O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccon1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is GDSVQCXXNVHMOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c17-12-3-5-14(6-4-12)26(22,23)20(10-13-2-1-8-24-13)11-16(21)18-15-7-9-25-19-15/h3-7,9,13H,1-2,8,10-11H2,(H,18,19,21)/t13-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 399.86 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7217401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).