3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide

C19H18ClNO3S — CID 60537223

IUPAC3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H18ClNO3S/c1-21(11-12-24-15-9-5-4-8-14(15)23-2)19(22)18-17(20)13-7-3-6-10-16(13)25-18/h3-10H,11-12H2,1-2H3
InChIKeyNZYGFDOEUQTVBW-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.71
Rot. Bonds6

About 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 60537223) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID60537223
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H18ClNO3S/c1-21(11-12-24-15-9-5-4-8-14(15)23-2)19(22)18-17(20)13-7-3-6-10-16(13)25-18/h3-10H,11-12H2,1-2H3
InChIKeyNZYGFDOEUQTVBW-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 26587111
3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 18273848
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 18113160
3-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 44931384
3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 31138609
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 1222512
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
3-chloro-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 41346627
2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 112844132
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 60537223) is 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide is COc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is NZYGFDOEUQTVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-21(11-12-24-15-9-5-4-8-14(15)23-2)19(22)18-17(20)13-7-3-6-10-16(13)25-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60537223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).