N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

C18H26N4O4S — CID 24736718

IUPACN-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N2CCc3cc(S(C)(=O)=O)ccc32)CC1
InChIInChI=1S/C18H26N4O4S/c1-3-19-17(23)21-9-7-14(8-10-21)20-18(24)22-11-6-13-12-15(27(2,25)26)4-5-16(13)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyXENNDPDPTJRKEU-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.36
Rot. Bonds3

About N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 24736718) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID24736718
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N2CCc3cc(S(C)(=O)=O)ccc32)CC1
InChIInChI=1S/C18H26N4O4S/c1-3-19-17(23)21-9-7-14(8-10-21)20-18(24)22-11-6-13-12-15(27(2,25)26)4-5-16(13)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyXENNDPDPTJRKEU-UHFFFAOYSA-N
XLogP1.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736687
N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736827
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948
5-(dimethylsulfamoyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736632
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 95065907
5-chloro-N-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736716
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059167
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
CID 47058453

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (CID 24736718) is N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCC(NC(=O)N2CCc3cc(S(C)(=O)=O)ccc32)CC1.
What is the InChIKey of N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is XENNDPDPTJRKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-3-19-17(23)21-9-7-14(8-10-21)20-18(24)22-11-6-13-12-15(27(2,25)26)4-5-16(13)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).