N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C20H25N5O4S2 — CID 26341266

IUPACN-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)s1
InChIInChI=1S/C20H25N5O4S2/c1-12-18(30-14(3)22-12)10-19(26)21-11-17-13(2)29-20(23-17)15-8-6-7-9-16(15)24-31(27,28)25(4)5/h6-9,24H,10-11H2,1-5H3,(H,21,26)
InChIKeyAUQMVDQZBXGPIF-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.80
Rot. Bonds8

About N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 26341266) has the molecular formula C20H25N5O4S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID26341266
Molecular FormulaC20H25N5O4S2
Molecular Weight463.59 g/mol
Exact Mass463.13
IUPAC NameN-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)s1
InChIInChI=1S/C20H25N5O4S2/c1-12-18(30-14(3)22-12)10-19(26)21-11-17-13(2)29-20(23-17)15-8-6-7-9-16(15)24-31(27,28)25(4)5/h6-9,24H,10-11H2,1-5H3,(H,21,26)
InChIKeyAUQMVDQZBXGPIF-UHFFFAOYSA-N
XLogP2.80
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 26362359
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
CID 118754747
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 26341266) is N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)s1.
What is the InChIKey of N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is AUQMVDQZBXGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S2/c1-12-18(30-14(3)22-12)10-19(26)21-11-17-13(2)29-20(23-17)15-8-6-7-9-16(15)24-31(27,28)25(4)5/h6-9,24H,10-11H2,1-5H3,(H,21,26).
What are the key properties of N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 463.59 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 26341266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).