1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C26H29N3O5S — CID 73401614

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18(25(30)28-24-9-5-7-19-6-3-4-8-23(19)24)27-26(31)20-14-16-29(17-15-20)35(32,33)22-12-10-21(34-2)11-13-22/h3-13,18,20H,14-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRICOZRCSAGAUER-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 73401614) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID73401614
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18(25(30)28-24-9-5-7-19-6-3-4-8-23(19)24)27-26(31)20-14-16-29(17-15-20)35(32,33)22-12-10-21(34-2)11-13-22/h3-13,18,20H,14-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRICOZRCSAGAUER-UHFFFAOYSA-N
XLogP3.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
(3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40961230
(3S)-N-[(2R)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97263010
1-(4-methoxyphenyl)sulfonyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 73258945
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657504
methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1075443
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
CID 16831919

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 73401614) is 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is RICOZRCSAGAUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18(25(30)28-24-9-5-7-19-6-3-4-8-23(19)24)27-26(31)20-14-16-29(17-15-20)35(32,33)22-12-10-21(34-2)11-13-22/h3-13,18,20H,14-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 73401614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).