N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide

C19H18ClNO2S — CID 50845793

IUPACN-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H18ClNO2S/c1-3-21(12-13-7-5-4-6-8-13)19(22)18-17(23-2)15-11-14(20)9-10-16(15)24-18/h4-11H,3,12H2,1-2H3
InChIKeyNLKLVBWTYRBZGV-UHFFFAOYSA-N
MW359.88 g/mol
LogP5.23
Rot. Bonds5

About N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide

N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 50845793) has the molecular formula C19H18ClNO2S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID50845793
Molecular FormulaC19H18ClNO2S
Molecular Weight359.88 g/mol
Exact Mass359.07
IUPAC NameN-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H18ClNO2S/c1-3-21(12-13-7-5-4-6-8-13)19(22)18-17(23-2)15-11-14(20)9-10-16(15)24-18/h4-11H,3,12H2,1-2H3
InChIKeyNLKLVBWTYRBZGV-UHFFFAOYSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.88
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
N-benzyl-N-[2-[benzyl-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]ethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 4546244
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
1-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-phenylethanone
CID 146010828
5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 95058282
2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-ethylamino]acetic acid
CID 61021883
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide (CID 50845793) is N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1sc2ccc(Cl)cc2c1OC.
What is the InChIKey of N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is NLKLVBWTYRBZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2S/c1-3-21(12-13-7-5-4-6-8-13)19(22)18-17(23-2)15-11-14(20)9-10-16(15)24-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide?
N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50845793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).