N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

C16H20ClN3O4S — CID 9181600

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O4S/c1-10(13-5-4-6-14(17)9-13)19-15(21)7-8-18-25(22,23)16-11(2)20-24-12(16)3/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyGOBMEUBZDDIJEH-SNVBAGLBSA-N
MW385.87 g/mol
LogP2.49
Rot. Bonds7

About N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 9181600) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID9181600
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O4S/c1-10(13-5-4-6-14(17)9-13)19-15(21)7-8-18-25(22,23)16-11(2)20-24-12(16)3/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyGOBMEUBZDDIJEH-SNVBAGLBSA-N
XLogP2.49
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
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N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
CID 110356539
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
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N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 9181600) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is GOBMEUBZDDIJEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-10(13-5-4-6-14(17)9-13)19-15(21)7-8-18-25(22,23)16-11(2)20-24-12(16)3/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 385.87 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 9181600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).