benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate

C18H21N3O4S — CID 71876382

IUPACbenzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCN(CC(=O)NCc1cccs1)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-21(12-16(22)19-10-15-8-5-9-26-15)17(23)11-20-18(24)25-13-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H,19,22)(H,20,24)
InChIKeyJEDVJOUBSCTJJY-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.75
Rot. Bonds8

About benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate (PubChem CID 71876382) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate
PubChem CID71876382
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Namebenzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCN(CC(=O)NCc1cccs1)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-21(12-16(22)19-10-15-8-5-9-26-15)17(23)11-20-18(24)25-13-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H,19,22)(H,20,24)
InChIKeyJEDVJOUBSCTJJY-UHFFFAOYSA-N
XLogP1.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate (CID 71876382) is benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate is CN(CC(=O)NCc1cccs1)C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is JEDVJOUBSCTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-21(12-16(22)19-10-15-8-5-9-26-15)17(23)11-20-18(24)25-13-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H,19,22)(H,20,24).
What are the key properties of benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 375.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 71876382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).