3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide

C20H16Cl2N2O3S — CID 54858474

IUPAC3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1Cl)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c21-14-6-5-12(20(26)24-7-9-27-10-8-24)11-15(14)23-19(25)18-17(22)13-3-1-2-4-16(13)28-18/h1-6,11H,7-10H2,(H,23,25)
InChIKeySMNDQWXCIOGREF-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.93
Rot. Bonds3

About 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 54858474) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID54858474
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1Cl)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c21-14-6-5-12(20(26)24-7-9-27-10-8-24)11-15(14)23-19(25)18-17(22)13-3-1-2-4-16(13)28-18/h1-6,11H,7-10H2,(H,23,25)
InChIKeySMNDQWXCIOGREF-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17194977
3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23875939
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17117860
3-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 2578784
3-chloro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 7258590
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 72878705
3-chloro-N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 54860189
3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 4643285
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide (CID 54858474) is 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCOCC2)ccc1Cl)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is SMNDQWXCIOGREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c21-14-6-5-12(20(26)24-7-9-27-10-8-24)11-15(14)23-19(25)18-17(22)13-3-1-2-4-16(13)28-18/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 435.33 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 54858474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).