ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C17H13ClN2O4S2 — CID 121464946

IUPACethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C17H13ClN2O4S2/c1-2-24-17(23)20-14(21)11-5-6-25-16(11)19-15(22)13-7-9-3-4-10(18)8-12(9)26-13/h3-8H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUCFCMAMUIHNHKG-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.75
Rot. Bonds4

About ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121464946) has the molecular formula C17H13ClN2O4S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID121464946
Molecular FormulaC17H13ClN2O4S2
Molecular Weight408.89 g/mol
Exact Mass408.00
IUPAC Nameethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C17H13ClN2O4S2/c1-2-24-17(23)20-14(21)11-5-6-25-16(11)19-15(22)13-7-9-3-4-10(18)8-12(9)26-13/h3-8H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUCFCMAMUIHNHKG-UHFFFAOYSA-N
XLogP4.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581527
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464885
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465032
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121464946) is ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccc(Cl)cc2s1.
What is the InChIKey of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is UCFCMAMUIHNHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S2/c1-2-24-17(23)20-14(21)11-5-6-25-16(11)19-15(22)13-7-9-3-4-10(18)8-12(9)26-13/h3-8H,2H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 408.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).