(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

C24H28N4O5S — CID 41436170

IUPAC(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C24H28N4O5S/c1-17-23(18(2)33-26-17)34(30,31)28-14-12-27(13-15-28)22(19-8-5-4-6-9-19)24(29)25-20-10-7-11-21(16-20)32-3/h4-11,16,22H,12-15H2,1-3H3,(H,25,29)/t22-/m0/s1
InChIKeyVRDIBHRQVVJKKS-QFIPXVFZSA-N
MW484.58 g/mol
LogP2.99
Rot. Bonds7

About (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 41436170) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID41436170
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C24H28N4O5S/c1-17-23(18(2)33-26-17)34(30,31)28-14-12-27(13-15-28)22(19-8-5-4-6-9-19)24(29)25-20-10-7-11-21(16-20)32-3/h4-11,16,22H,12-15H2,1-3H3,(H,25,29)/t22-/m0/s1
InChIKeyVRDIBHRQVVJKKS-QFIPXVFZSA-N
XLogP2.99
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (CID 41436170) is (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is VRDIBHRQVVJKKS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-17-23(18(2)33-26-17)34(30,31)28-14-12-27(13-15-28)22(19-8-5-4-6-9-19)24(29)25-20-10-7-11-21(16-20)32-3/h4-11,16,22H,12-15H2,1-3H3,(H,25,29)/t22-/m0/s1.
What are the key properties of (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 484.58 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 41436170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).