5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide

C29H30N2O4S — CID 58338549

IUPAC5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C(N)=O)s3)ccc2c1
InChIInChI=1S/C29H30N2O4S/c1-33-23-10-12-24-20(19-23)5-11-25(26-13-14-27(36-26)29(30)32)28(24)35-22-8-6-21(7-9-22)34-18-17-31-15-3-2-4-16-31/h5-14,19H,2-4,15-18H2,1H3,(H2,30,32)
InChIKeyDMCMQYPRTGMFPG-UHFFFAOYSA-N
MW502.64 g/mol
LogP6.33
Rot. Bonds9

About 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide

5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide (PubChem CID 58338549) has the molecular formula C29H30N2O4S and a molecular weight of 502.64 g/mol. Its IUPAC name is 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
PubChem CID58338549
Molecular FormulaC29H30N2O4S
Molecular Weight502.64 g/mol
Exact Mass502.19
IUPAC Name5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C(N)=O)s3)ccc2c1
InChIInChI=1S/C29H30N2O4S/c1-33-23-10-12-24-20(19-23)5-11-25(26-13-14-27(36-26)29(30)32)28(24)35-22-8-6-21(7-9-22)34-18-17-31-15-3-2-4-16-31/h5-14,19H,2-4,15-18H2,1H3,(H2,30,32)
InChIKeyDMCMQYPRTGMFPG-UHFFFAOYSA-N
XLogP6.33
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338562
4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
CID 91116090
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68515082
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
CID 58338572
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 58834554
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide (CID 58338549) is 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C(N)=O)s3)ccc2c1.
What is the InChIKey of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide?
The InChIKey is DMCMQYPRTGMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4S/c1-33-23-10-12-24-20(19-23)5-11-25(26-13-14-27(36-26)29(30)32)28(24)35-22-8-6-21(7-9-22)34-18-17-31-15-3-2-4-16-31/h5-14,19H,2-4,15-18H2,1H3,(H2,30,32).
What are the key properties of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide?
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58338549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).