3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C33H31N3O5S — CID 69145423

IUPAC3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C33H31N3O5S/c1-40-30-9-5-6-10-31(30)41-25-11-13-26(14-12-25)42(38,39)36-17-15-23(16-18-36)29-21-35-32-27(29)19-24(20-28(32)33(34)37)22-7-3-2-4-8-22/h2-14,19-21,23,35H,15-18H2,1H3,(H2,34,37)
InChIKeyZWZUAKIETXERIC-UHFFFAOYSA-N
MW581.69 g/mol
LogP6.30
Rot. Bonds8

About 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 69145423) has the molecular formula C33H31N3O5S and a molecular weight of 581.69 g/mol. Its IUPAC name is 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID69145423
Molecular FormulaC33H31N3O5S
Molecular Weight581.69 g/mol
Exact Mass581.20
IUPAC Name3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C33H31N3O5S/c1-40-30-9-5-6-10-31(30)41-25-11-13-26(14-12-25)42(38,39)36-17-15-23(16-18-36)29-21-35-32-27(29)19-24(20-28(32)33(34)37)22-7-3-2-4-8-22/h2-14,19-21,23,35H,15-18H2,1H3,(H2,34,37)
InChIKeyZWZUAKIETXERIC-UHFFFAOYSA-N
XLogP6.30
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.69
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
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-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-[1-[2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791098
3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 59003286
5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 59003287
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-(methylaminomethyl)phenyl]-1H-indole-7-carboxamide
CID 59003351
amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
CID 143079410
3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-phenyl-1H-indole-7-carboxamide;methane
CID 160775289

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 69145423) is 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cc1.
What is the InChIKey of 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is ZWZUAKIETXERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O5S/c1-40-30-9-5-6-10-31(30)41-25-11-13-26(14-12-25)42(38,39)36-17-15-23(16-18-36)29-21-35-32-27(29)19-24(20-28(32)33(34)37)22-7-3-2-4-8-22/h2-14,19-21,23,35H,15-18H2,1H3,(H2,34,37).
What are the key properties of 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 581.69 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 69145423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).