3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

C18H15Cl2NO2S — CID 2932611

IUPAC3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1
InChIInChI=1S/C18H15Cl2NO2S/c1-10(11-4-3-5-13(8-11)23-2)21-18(22)17-16(20)14-7-6-12(19)9-15(14)24-17/h3-10H,1-2H3,(H,21,22)
InChIKeySORJMUBSFDTIEW-UHFFFAOYSA-N
MW380.30 g/mol
LogP5.71
Rot. Bonds4

About 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 2932611) has the molecular formula C18H15Cl2NO2S and a molecular weight of 380.30 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID2932611
Molecular FormulaC18H15Cl2NO2S
Molecular Weight380.30 g/mol
Exact Mass379.02
IUPAC Name3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1
InChIInChI=1S/C18H15Cl2NO2S/c1-10(11-4-3-5-13(8-11)23-2)21-18(22)17-16(20)14-7-6-12(19)9-15(14)24-17/h3-10H,1-2H3,(H,21,22)
InChIKeySORJMUBSFDTIEW-UHFFFAOYSA-N
XLogP5.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 54991059
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
3,6-dichloro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43418822
6-chloro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 53014216
5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 95058276
4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
3,6-dichloro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43390254
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 2932611) is 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is COc1cccc(C(C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is SORJMUBSFDTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2S/c1-10(11-4-3-5-13(8-11)23-2)21-18(22)17-16(20)14-7-6-12(19)9-15(14)24-17/h3-10H,1-2H3,(H,21,22).
What are the key properties of 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2932611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).