(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate

C20H21ClN2O5S2 — CID 51929996

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
SMILESCc1oc(-c2cccs2)nc1COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C20H21ClN2O5S2/c1-12(2)18(23-30(25,26)15-7-4-6-14(21)10-15)20(24)27-11-16-13(3)28-19(22-16)17-8-5-9-29-17/h4-10,12,18,23H,11H2,1-3H3/t18-/m1/s1
InChIKeyVKQXJPLTFQZZLF-GOSISDBHSA-N
MW468.98 g/mol
LogP4.41
Rot. Bonds8

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate (PubChem CID 51929996) has the molecular formula C20H21ClN2O5S2 and a molecular weight of 468.98 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
PubChem CID51929996
Molecular FormulaC20H21ClN2O5S2
Molecular Weight468.98 g/mol
Exact Mass468.06
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
SMILESCc1oc(-c2cccs2)nc1COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C20H21ClN2O5S2/c1-12(2)18(23-30(25,26)15-7-4-6-14(21)10-15)20(24)27-11-16-13(3)28-19(22-16)17-8-5-9-29-17/h4-10,12,18,23H,11H2,1-3H3/t18-/m1/s1
InChIKeyVKQXJPLTFQZZLF-GOSISDBHSA-N
XLogP4.41
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.98
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

benzyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573393
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CID 55934693
3-methyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468711
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 18283107
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CID 51966261
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CID 24665990
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619120
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate (CID 51929996) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate is Cc1oc(-c2cccs2)nc1COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate?
The InChIKey is VKQXJPLTFQZZLF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN2O5S2/c1-12(2)18(23-30(25,26)15-7-4-6-14(21)10-15)20(24)27-11-16-13(3)28-19(22-16)17-8-5-9-29-17/h4-10,12,18,23H,11H2,1-3H3/t18-/m1/s1.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate has a molecular weight of 468.98 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 51929996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).