methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate

C10H10ClNO3S — CID 10587388

IUPACmethyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sc(Cl)cc2C1=O
InChIInChI=1S/C10H10ClNO3S/c1-15-10(14)12-6-2-3-7-5(9(6)13)4-8(11)16-7/h4,6H,2-3H2,1H3,(H,12,14)
InChIKeyULPPDYIJYOMUPH-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.26
Rot. Bonds1

About methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate

methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate (PubChem CID 10587388) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
PubChem CID10587388
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Namemethyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
SMILESCOC(=O)NC1CCc2sc(Cl)cc2C1=O
InChIInChI=1S/C10H10ClNO3S/c1-15-10(14)12-6-2-3-7-5(9(6)13)4-8(11)16-7/h4,6H,2-3H2,1H3,(H,12,14)
InChIKeyULPPDYIJYOMUPH-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
CID 18929786
tert-butyl N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)carbamate
CID 176347964
N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide
CID 10512055
N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide
CID 10542645
(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide
CID 10640122
5-amino-2-chloro-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10640123
methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
CID 10680716
N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide
CID 10828577
methyl N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)carbamate
CID 10846821
N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
CID 16638956
2-Chloro-N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)propanamide
CID 146094918
tert-butyl N-[(2S)-1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468162

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The IUPAC name of methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate (CID 10587388) is methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate.
What is the SMILES notation for methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The canonical SMILES for methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate is COC(=O)NC1CCc2sc(Cl)cc2C1=O.
What is the InChIKey of methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
The InChIKey is ULPPDYIJYOMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-15-10(14)12-6-2-3-7-5(9(6)13)4-8(11)16-7/h4,6H,2-3H2,1H3,(H,12,14).
What are the key properties of methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate?
methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate has a molecular weight of 259.71 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate is sourced from PubChem (CID 10587388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).