5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide

C24H28N4O2S — CID 143079406

IUPAC5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCSN1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(NC(C)=O)c4)cc23)CC1
InChIInChI=1S/C24H28N4O2S/c1-3-31-28-9-7-16(8-10-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)17-5-4-6-19(11-17)27-15(2)29/h4-6,11-14,16,26H,3,7-10H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyNWNUINAWDSWVGR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.74
Rot. Bonds6

About 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide

5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide (PubChem CID 143079406) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide
PubChem CID143079406
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCSN1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(NC(C)=O)c4)cc23)CC1
InChIInChI=1S/C24H28N4O2S/c1-3-31-28-9-7-16(8-10-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)17-5-4-6-19(11-17)27-15(2)29/h4-6,11-14,16,26H,3,7-10H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyNWNUINAWDSWVGR-UHFFFAOYSA-N
XLogP4.74
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
5-[3-[(3,3-dimethylbutan-2-ylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 74830292
5-[3-(3-cyclopentyl-3-oxopropyl)phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 58081088
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[(octanoylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 66722824
ethanethiol;5-[3-(hydroxymethyl)phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 143079375
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-(1-methylpyrrolidin-2-yl)phenyl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66723190
5-[3-[[[(2R)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2-difluoropropanoic acid
CID 143389644
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-(methylaminomethyl)phenyl]-1H-indole-7-carboxamide
CID 59003351
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
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
5-[3-(hydroxymethyl)phenyl]-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 11613367

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide (CID 143079406) is 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide is CCSN1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(NC(C)=O)c4)cc23)CC1.
What is the InChIKey of 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide?
The InChIKey is NWNUINAWDSWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-31-28-9-7-16(8-10-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)17-5-4-6-19(11-17)27-15(2)29/h4-6,11-14,16,26H,3,7-10H2,1-2H3,(H2,25,30)(H,27,29).
What are the key properties of 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide?
5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 143079406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).