N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide

C18H20N2O3S — CID 95791970

IUPACN-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1cccs1
InChIInChI=1S/C18H20N2O3S/c1-12(2)14(19-17(21)10-13-6-5-9-24-13)11-20-15-7-3-4-8-16(15)23-18(20)22/h3-9,12,14H,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyRMPHIDWQLRARNV-CQSZACIVSA-N
MW344.44 g/mol
LogP3.04
Rot. Bonds6

About N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide

N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 95791970) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID95791970
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1cccs1
InChIInChI=1S/C18H20N2O3S/c1-12(2)14(19-17(21)10-13-6-5-9-24-13)11-20-15-7-3-4-8-16(15)23-18(20)22/h3-9,12,14H,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyRMPHIDWQLRARNV-CQSZACIVSA-N
XLogP3.04
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
CID 95791951
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
CID 95791961
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
CID 110244689
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide (CID 95791970) is N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide is CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1cccs1.
What is the InChIKey of N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is RMPHIDWQLRARNV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(2)14(19-17(21)10-13-6-5-9-24-13)11-20-15-7-3-4-8-16(15)23-18(20)22/h3-9,12,14H,10-11H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide?
N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 344.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95791970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).