ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C13H11BrN2O4S2 — CID 7167142

IUPACethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C13H11BrN2O4S2/c1-2-20-13(19)16-10(17)7-5-6-21-12(7)15-11(18)8-3-4-9(14)22-8/h3-6H,2H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyPOAGDTPAPUZTFI-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.71
Rot. Bonds4

About ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7167142) has the molecular formula C13H11BrN2O4S2 and a molecular weight of 403.28 g/mol. Its IUPAC name is ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7167142
Molecular FormulaC13H11BrN2O4S2
Molecular Weight403.28 g/mol
Exact Mass401.93
IUPAC Nameethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C13H11BrN2O4S2/c1-2-20-13(19)16-10(17)7-5-6-21-12(7)15-11(18)8-3-4-9(14)22-8/h3-6H,2H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyPOAGDTPAPUZTFI-UHFFFAOYSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879
2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464946
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 86581979

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 7167142) is ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is POAGDTPAPUZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S2/c1-2-20-13(19)16-10(17)7-5-6-21-12(7)15-11(18)8-3-4-9(14)22-8/h3-6H,2H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 403.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).