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

C17H20N4O4S — CID 55903057

IUPAC4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)N(C)c2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C17H20N4O4S/c1-10-8-14(20-25-10)19-17(24)11(2)26-9-15(22)21(3)13-6-4-12(5-7-13)16(18)23/h4-8,11H,9H2,1-3H3,(H2,18,23)(H,19,20,24)
InChIKeyAKITYFYVLOOTPX-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.81
Rot. Bonds7

About 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide

4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 55903057) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID55903057
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)N(C)c2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C17H20N4O4S/c1-10-8-14(20-25-10)19-17(24)11(2)26-9-15(22)21(3)13-6-4-12(5-7-13)16(18)23/h4-8,11H,9H2,1-3H3,(H2,18,23)(H,19,20,24)
InChIKeyAKITYFYVLOOTPX-UHFFFAOYSA-N
XLogP1.81
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide with MolForge

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Related Compounds

2-[2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55454501
(2S)-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51927010
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
(2S)-2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51923026
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
phenacyl 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953628
2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43061061
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
methyl 4-methyl-3-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate
CID 7920456

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide (CID 55903057) is 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide is Cc1cc(NC(=O)C(C)SCC(=O)N(C)c2ccc(C(N)=O)cc2)no1.
What is the InChIKey of 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is AKITYFYVLOOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-10-8-14(20-25-10)19-17(24)11(2)26-9-15(22)21(3)13-6-4-12(5-7-13)16(18)23/h4-8,11H,9H2,1-3H3,(H2,18,23)(H,19,20,24).
What are the key properties of 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide?
4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 376.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 55903057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).