2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid

C14H16N2O4S2 — CID 118113439

IUPAC2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H16N2O4S2/c17-13(18)15-5-6-20-14(19)16(9-11-3-1-7-21-11)10-12-4-2-8-22-12/h1-4,7-8,15H,5-6,9-10H2,(H,17,18)
InChIKeyOWRGMUGVTJCEAB-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.22
Rot. Bonds7

About 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid

2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid (PubChem CID 118113439) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
PubChem CID118113439
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H16N2O4S2/c17-13(18)15-5-6-20-14(19)16(9-11-3-1-7-21-11)10-12-4-2-8-22-12/h1-4,7-8,15H,5-6,9-10H2,(H,17,18)
InChIKeyOWRGMUGVTJCEAB-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739552
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739782
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid (CID 118113439) is 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid is O=C(O)NCCOC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid?
The InChIKey is OWRGMUGVTJCEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c17-13(18)15-5-6-20-14(19)16(9-11-3-1-7-21-11)10-12-4-2-8-22-12/h1-4,7-8,15H,5-6,9-10H2,(H,17,18).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid?
2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid has a molecular weight of 340.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid is sourced from PubChem (CID 118113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).