3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide

C19H18ClNO3S — CID 34739145

IUPAC3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H18ClNO3S/c1-3-23-12-9-10-15(24-4-2)14(11-12)21-19(22)18-17(20)13-7-5-6-8-16(13)25-18/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyKMJCYSIVEBZOBE-UHFFFAOYSA-N
MW375.88 g/mol
LogP5.60
Rot. Bonds6

About 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 34739145) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID34739145
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H18ClNO3S/c1-3-23-12-9-10-15(24-4-2)14(11-12)21-19(22)18-17(20)13-7-5-6-8-16(13)25-18/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyKMJCYSIVEBZOBE-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
3-chloro-N-[(4-ethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 4689415
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
3-chloro-N-(4-heptoxyphenyl)-1-benzothiophene-2-carboxamide
CID 4951485
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005
N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957790
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
3-chloro-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 134010363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide (CID 34739145) is 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KMJCYSIVEBZOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-3-23-12-9-10-15(24-4-2)14(11-12)21-19(22)18-17(20)13-7-5-6-8-16(13)25-18/h5-11H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 34739145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).