[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate

C19H22N2O4S — CID 55426338

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C19H22N2O4S/c1-14-6-3-4-8-16(14)19(24)20-10-9-18(23)25-13-17(22)21(2)12-15-7-5-11-26-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,24)
InChIKeyYNVPYYFEUDLIFC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.38
Rot. Bonds8

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 55426338) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
PubChem CID55426338
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C19H22N2O4S/c1-14-6-3-4-8-16(14)19(24)20-10-9-18(23)25-13-17(22)21(2)12-15-7-5-11-26-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,24)
InChIKeyYNVPYYFEUDLIFC-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 18090196
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46607448
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 29385046
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate (CID 55426338) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate is Cc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C)Cc1cccs1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is YNVPYYFEUDLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-3-4-8-16(14)19(24)20-10-9-18(23)25-13-17(22)21(2)12-15-7-5-11-26-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 374.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 55426338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).