5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

C26H33N3O4S — CID 59003287

IUPAC5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESCCc1cccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CCCOC)CC4)c3c2)c1
InChIInChI=1S/C26H33N3O4S/c1-3-18-6-4-7-20(14-18)21-15-22-24(17-28-25(22)23(16-21)26(27)30)19-8-10-29(11-9-19)34(31,32)13-5-12-33-2/h4,6-7,14-17,19,28H,3,5,8-13H2,1-2H3,(H2,27,30)
InChIKeyFIDYULYITDNWCS-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.04
Rot. Bonds9

About 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (PubChem CID 59003287) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
PubChem CID59003287
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESCCc1cccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CCCOC)CC4)c3c2)c1
InChIInChI=1S/C26H33N3O4S/c1-3-18-6-4-7-20(14-18)21-15-22-24(17-28-25(22)23(16-21)26(27)30)19-8-10-29(11-9-19)34(31,32)13-5-12-33-2/h4,6-7,14-17,19,28H,3,5,8-13H2,1-2H3,(H2,27,30)
InChIKeyFIDYULYITDNWCS-UHFFFAOYSA-N
XLogP4.04
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The IUPAC name of 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (CID 59003287) is 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is CCc1cccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CCCOC)CC4)c3c2)c1.
What is the InChIKey of 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The InChIKey is FIDYULYITDNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-3-18-6-4-7-20(14-18)21-15-22-24(17-28-25(22)23(16-21)26(27)30)19-8-10-29(11-9-19)34(31,32)13-5-12-33-2/h4,6-7,14-17,19,28H,3,5,8-13H2,1-2H3,(H2,27,30).
What are the key properties of 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 59003287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).