N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide

C21H26N4O4S — CID 146372978

IUPACN-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(S(=O)(=O)N3CCC(c4ccncc4)CC3)C2)c1
InChIInChI=1S/C21H26N4O4S/c1-29-19-4-2-3-18(13-19)23-21(26)24-14-20(15-24)30(27,28)25-11-7-17(8-12-25)16-5-9-22-10-6-16/h2-6,9-10,13,17,20H,7-8,11-12,14-15H2,1H3,(H,23,26)
InChIKeyKZMQFTXOQIWEDS-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.52
Rot. Bonds5

About N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide

N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide (PubChem CID 146372978) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide
PubChem CID146372978
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(S(=O)(=O)N3CCC(c4ccncc4)CC3)C2)c1
InChIInChI=1S/C21H26N4O4S/c1-29-19-4-2-3-18(13-19)23-21(26)24-14-20(15-24)30(27,28)25-11-7-17(8-12-25)16-5-9-22-10-6-16/h2-6,9-10,13,17,20H,7-8,11-12,14-15H2,1H3,(H,23,26)
InChIKeyKZMQFTXOQIWEDS-UHFFFAOYSA-N
XLogP2.52
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide (CID 146372978) is N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide is COc1cccc(NC(=O)N2CC(S(=O)(=O)N3CCC(c4ccncc4)CC3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide?
The InChIKey is KZMQFTXOQIWEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-29-19-4-2-3-18(13-19)23-21(26)24-14-20(15-24)30(27,28)25-11-7-17(8-12-25)16-5-9-22-10-6-16/h2-6,9-10,13,17,20H,7-8,11-12,14-15H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide?
N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide is sourced from PubChem (CID 146372978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).