N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide

C27H26N2O2S — CID 118063665

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)cc2)CC1
InChIInChI=1S/C27H26N2O2S/c1-29-16-14-24(15-17-29)31-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(30)26-18-21-4-2-3-5-25(21)32-26/h2-13,18,24H,14-17H2,1H3,(H,28,30)
InChIKeyOFPWJBVCELVONS-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.29
Rot. Bonds5

About N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 118063665) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID118063665
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)cc2)CC1
InChIInChI=1S/C27H26N2O2S/c1-29-16-14-24(15-17-29)31-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(30)26-18-21-4-2-3-5-25(21)32-26/h2-13,18,24H,14-17H2,1H3,(H,28,30)
InChIKeyOFPWJBVCELVONS-UHFFFAOYSA-N
XLogP6.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzothiophene-2-carboxamide
CID 155681504
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 42626315
4-methyl-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063109
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
CID 118063243
4-iodo-N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-4-yl)benzamide
CID 118063317
7-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-2-methyl-2H-isoquinolin-1-one
CID 11978940
N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 6623094
5-[3-(Dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
CID 10428987
N-[4-(Propan-2-YL)phenyl]-N-propyl-4H-thieno[3,2-C]chromene-2-carboxamide
CID 16010250

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide (CID 118063665) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OFPWJBVCELVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-29-16-14-24(15-17-29)31-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(30)26-18-21-4-2-3-5-25(21)32-26/h2-13,18,24H,14-17H2,1H3,(H,28,30).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118063665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).