ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate

C13H21N3O3S — CID 97029198

IUPACethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)N(C)[C@@H](C)c1cccs1
InChIInChI=1S/C13H21N3O3S/c1-4-19-13(18)15-8-7-14-12(17)16(3)10(2)11-6-5-9-20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyJZKDAOSBEBYZIG-JTQLQIEISA-N
MW299.40 g/mol
LogP2.20
Rot. Bonds6

About ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate

ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate (PubChem CID 97029198) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
PubChem CID97029198
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)N(C)[C@@H](C)c1cccs1
InChIInChI=1S/C13H21N3O3S/c1-4-19-13(18)15-8-7-14-12(17)16(3)10(2)11-6-5-9-20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyJZKDAOSBEBYZIG-JTQLQIEISA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 51959987
N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide
CID 52512096
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
CID 13111463
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 111459238

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate (CID 97029198) is ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)N(C)[C@@H](C)c1cccs1.
What is the InChIKey of ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate?
The InChIKey is JZKDAOSBEBYZIG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-19-13(18)15-8-7-14-12(17)16(3)10(2)11-6-5-9-20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate?
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate has a molecular weight of 299.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate is sourced from PubChem (CID 97029198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).