3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C24H30N4O3S — CID 11496203

IUPAC3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCN(C)CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-27(2)12-13-32(30,31)28-10-8-18(9-11-28)22-16-26-23-20(22)14-19(15-21(23)24(25)29)17-6-4-3-5-7-17/h3-7,14-16,18,26H,8-13H2,1-2H3,(H2,25,29)
InChIKeyMJWPHYZQZROWPH-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.00
Rot. Bonds7

About 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11496203) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11496203
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCN(C)CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-27(2)12-13-32(30,31)28-10-8-18(9-11-28)22-16-26-23-20(22)14-19(15-21(23)24(25)29)17-6-4-3-5-7-17/h3-7,14-16,18,26H,8-13H2,1-2H3,(H2,25,29)
InChIKeyMJWPHYZQZROWPH-UHFFFAOYSA-N
XLogP3.00
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 11496203) is 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is CN(C)CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is MJWPHYZQZROWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-27(2)12-13-32(30,31)28-10-8-18(9-11-28)22-16-26-23-20(22)14-19(15-21(23)24(25)29)17-6-4-3-5-7-17/h3-7,14-16,18,26H,8-13H2,1-2H3,(H2,25,29).
What are the key properties of 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11496203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).