ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate

C11H16N2O3S — CID 38415489

IUPACethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(15)12-6-5-10(14)13-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,15)(H,13,14)
InChIKeyNSXLZCSQIJZJBG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.50
Rot. Bonds6

About ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate

ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate (PubChem CID 38415489) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
PubChem CID38415489
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(15)12-6-5-10(14)13-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,15)(H,13,14)
InChIKeyNSXLZCSQIJZJBG-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47099194
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
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CID 47028254
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The IUPAC name of ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate (CID 38415489) is ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate.
What is the SMILES notation for ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The canonical SMILES for ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate is CCOC(=O)NCCC(=O)NCc1cccs1.
What is the InChIKey of ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The InChIKey is NSXLZCSQIJZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-11(15)12-6-5-10(14)13-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,15)(H,13,14).
What are the key properties of ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 38415489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).