N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide

C25H22ClNO2S — CID 110500920

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)sc2ccccc12
InChIInChI=1S/C25H22ClNO2S/c1-2-5-22-21-6-3-4-7-23(21)30-24(22)25(28)27-19-12-14-20(15-13-19)29-16-17-8-10-18(26)11-9-17/h3-4,6-15H,2,5,16H2,1H3,(H,27,28)
InChIKeyKWTVYWXIGLOJNK-UHFFFAOYSA-N
MW435.98 g/mol
LogP7.34
Rot. Bonds7

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110500920) has the molecular formula C25H22ClNO2S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110500920
Molecular FormulaC25H22ClNO2S
Molecular Weight435.98 g/mol
Exact Mass435.11
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)sc2ccccc12
InChIInChI=1S/C25H22ClNO2S/c1-2-5-22-21-6-3-4-7-23(21)30-24(22)25(28)27-19-12-14-20(15-13-19)29-16-17-8-10-18(26)11-9-17/h3-4,6-15H,2,5,16H2,1H3,(H,27,28)
InChIKeyKWTVYWXIGLOJNK-UHFFFAOYSA-N
XLogP7.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500728
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
CID 110500861
N-[4-[2-(4-chlorophenyl)ethyl]phenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 154375130
3-chloro-N-(4-heptoxyphenyl)-1-benzothiophene-2-carboxamide
CID 4951485
ethyl 4-(4-chlorophenyl)-5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503357
N-(4-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4083903
N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500842
[2-[(Z)-[[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 6265408
3-chloro-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 134010363
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide (CID 110500920) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)sc2ccccc12.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is KWTVYWXIGLOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO2S/c1-2-5-22-21-6-3-4-7-23(21)30-24(22)25(28)27-19-12-14-20(15-13-19)29-16-17-8-10-18(26)11-9-17/h3-4,6-15H,2,5,16H2,1H3,(H,27,28).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 435.98 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110500920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).