3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C33H31N3O4S — CID 69144420

IUPAC3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4c[nH]c5c(C(N)=O)cc(-c6ccccc6)cc45)CC3)cc2)cc1
InChIInChI=1S/C33H31N3O4S/c1-40-27-11-7-23(8-12-27)24-9-13-28(14-10-24)41(38,39)36-17-15-25(16-18-36)31-21-35-32-29(31)19-26(20-30(32)33(34)37)22-5-3-2-4-6-22/h2-14,19-21,25,35H,15-18H2,1H3,(H2,34,37)
InChIKeyWAHBJQBWRZMZHS-UHFFFAOYSA-N
MW565.70 g/mol
LogP6.18
Rot. Bonds7

About 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 69144420) has the molecular formula C33H31N3O4S and a molecular weight of 565.70 g/mol. Its IUPAC name is 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID69144420
Molecular FormulaC33H31N3O4S
Molecular Weight565.70 g/mol
Exact Mass565.20
IUPAC Name3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4c[nH]c5c(C(N)=O)cc(-c6ccccc6)cc45)CC3)cc2)cc1
InChIInChI=1S/C33H31N3O4S/c1-40-27-11-7-23(8-12-27)24-9-13-28(14-10-24)41(38,39)36-17-15-25(16-18-36)31-21-35-32-29(31)19-26(20-30(32)33(34)37)22-5-3-2-4-6-22/h2-14,19-21,25,35H,15-18H2,1H3,(H2,34,37)
InChIKeyWAHBJQBWRZMZHS-UHFFFAOYSA-N
XLogP6.18
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641
3-[1-[2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791098
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 59003286
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 59003287
amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
CID 143079410
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-(methylaminomethyl)phenyl]-1H-indole-7-carboxamide
CID 59003351

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 69144420) is 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is COc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4c[nH]c5c(C(N)=O)cc(-c6ccccc6)cc45)CC3)cc2)cc1.
What is the InChIKey of 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is WAHBJQBWRZMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4S/c1-40-27-11-7-23(8-12-27)24-9-13-28(14-10-24)41(38,39)36-17-15-25(16-18-36)31-21-35-32-29(31)19-26(20-30(32)33(34)37)22-5-3-2-4-6-22/h2-14,19-21,25,35H,15-18H2,1H3,(H2,34,37).
What are the key properties of 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 565.70 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 69144420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).