N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide

C27H35N3O3S — CID 141164185

IUPACN-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)c1
InChIInChI=1S/C27H35N3O3S/c1-3-5-9-27(31)29-18-20-7-6-8-22(16-20)23-10-11-26-24(17-23)25(19-28-26)21-12-14-30(15-13-21)34(32,33)4-2/h6-8,10-11,16-17,19,21,28H,3-5,9,12-15,18H2,1-2H3,(H,29,31)
InChIKeyRYOAJKPARBJNOY-UHFFFAOYSA-N
MW481.66 g/mol
LogP5.17
Rot. Bonds9

About N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide

N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide (PubChem CID 141164185) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
PubChem CID141164185
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC NameN-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)c1
InChIInChI=1S/C27H35N3O3S/c1-3-5-9-27(31)29-18-20-7-6-8-22(16-20)23-10-11-26-24(17-23)25(19-28-26)21-12-14-30(15-13-21)34(32,33)4-2/h6-8,10-11,16-17,19,21,28H,3-5,9,12-15,18H2,1-2H3,(H,29,31)
InChIKeyRYOAJKPARBJNOY-UHFFFAOYSA-N
XLogP5.17
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.66
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]hexanamide
CID 141164206
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[(octanoylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 66722824
N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
CID 141164136
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
CID 141164179
N-[[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]methyl]butan-1-amine
CID 141164204
1-[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-3-yl]-N-methylmethanamine
CID 141164155
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
CID 141141048
5-[3-[(3,3-dimethylbutan-2-ylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 74830292
1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
CID 141164135
N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide?
The IUPAC name of N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide (CID 141164185) is N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide?
The canonical SMILES for N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide is CCCCC(=O)NCc1cccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)c1.
What is the InChIKey of N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide?
The InChIKey is RYOAJKPARBJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-3-5-9-27(31)29-18-20-7-6-8-22(16-20)23-10-11-26-24(17-23)25(19-28-26)21-12-14-30(15-13-21)34(32,33)4-2/h6-8,10-11,16-17,19,21,28H,3-5,9,12-15,18H2,1-2H3,(H,29,31).
What are the key properties of N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide?
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide has a molecular weight of 481.66 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide is sourced from PubChem (CID 141164185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).