N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

C15H19N3O4S — CID 3242609

IUPACN-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19N3O4S/c1-11-15(12(2)22-17-11)23(20,21)18(3)10-14(19)16-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyCTTLCPDKTSILCW-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.23
Rot. Bonds6

About N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 3242609) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID3242609
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19N3O4S/c1-11-15(12(2)22-17-11)23(20,21)18(3)10-14(19)16-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyCTTLCPDKTSILCW-UHFFFAOYSA-N
XLogP1.23
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (CID 3242609) is N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is CTTLCPDKTSILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-15(12(2)22-17-11)23(20,21)18(3)10-14(19)16-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 3242609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).