N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide

C22H27N3O4S — CID 20966138

IUPACN-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16(14-19-4-3-13-29-19)23-22(26)17-8-11-25(12-9-17)30(27,28)20-5-6-21-18(15-20)7-10-24(21)2/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3,(H,23,26)
InChIKeyMRJCRILDOOYURS-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.92
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 20966138) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID20966138
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16(14-19-4-3-13-29-19)23-22(26)17-8-11-25(12-9-17)30(27,28)20-5-6-21-18(15-20)7-10-24(21)2/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3,(H,23,26)
InChIKeyMRJCRILDOOYURS-UHFFFAOYSA-N
XLogP2.92
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085354
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
N-[1-(furan-2-yl)propan-2-yl]-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068467
1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20876953
(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94022233
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
N-(furan-2-ylmethyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106120
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide (CID 20966138) is N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide is CC(Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MRJCRILDOOYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16(14-19-4-3-13-29-19)23-22(26)17-8-11-25(12-9-17)30(27,28)20-5-6-21-18(15-20)7-10-24(21)2/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20966138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).