N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide

C16H18N4O4S — CID 34753814

IUPACN-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N4O4S/c1-10-7-13(20-24-10)19-15(22)9-25-8-14(21)18-12-6-4-3-5-11(12)16(23)17-2/h3-7H,8-9H2,1-2H3,(H,17,23)(H,18,21)(H,19,20,22)
InChIKeyQNTOHVMVAOSDJW-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.65
Rot. Bonds7

About N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide

N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide (PubChem CID 34753814) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
PubChem CID34753814
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N4O4S/c1-10-7-13(20-24-10)19-15(22)9-25-8-14(21)18-12-6-4-3-5-11(12)16(23)17-2/h3-7H,8-9H2,1-2H3,(H,17,23)(H,18,21)(H,19,20,22)
InChIKeyQNTOHVMVAOSDJW-UHFFFAOYSA-N
XLogP1.65
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide with MolForge

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Related Compounds

2-[2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]phenyl]acetic acid
CID 119218457
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
[2-(2-methylanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543421
[2-(2-fluoroanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543479
2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 40727991
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294
N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547
2-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30160191
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide (CID 34753814) is N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1cc(C)on1.
What is the InChIKey of N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide?
The InChIKey is QNTOHVMVAOSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-7-13(20-24-10)19-15(22)9-25-8-14(21)18-12-6-4-3-5-11(12)16(23)17-2/h3-7H,8-9H2,1-2H3,(H,17,23)(H,18,21)(H,19,20,22).
What are the key properties of N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide?
N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide has a molecular weight of 362.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 34753814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).