ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate

C15H12N4O5S — CID 121464988

IUPACethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nonc2c1
InChIInChI=1S/C15H12N4O5S/c1-2-23-15(22)17-13(21)9-5-6-25-14(9)16-12(20)8-3-4-10-11(7-8)19-24-18-10/h3-7H,2H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyCOBGYOFQSYMFFC-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.42
Rot. Bonds4

About ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464988) has the molecular formula C15H12N4O5S and a molecular weight of 360.35 g/mol. Its IUPAC name is ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464988
Molecular FormulaC15H12N4O5S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC Nameethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nonc2c1
InChIInChI=1S/C15H12N4O5S/c1-2-23-15(22)17-13(21)9-5-6-25-14(9)16-12(20)8-3-4-10-11(7-8)19-24-18-10/h3-7H,2H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyCOBGYOFQSYMFFC-UHFFFAOYSA-N
XLogP2.42
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-[(2-cyclopropyl-1,3-benzothiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464997
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
CID 86582902
ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464885
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464988) is ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nonc2c1.
What is the InChIKey of ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is COBGYOFQSYMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5S/c1-2-23-15(22)17-13(21)9-5-6-25-14(9)16-12(20)8-3-4-10-11(7-8)19-24-18-10/h3-7H,2H2,1H3,(H,16,20)(H,17,21,22).
What are the key properties of ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 360.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).