N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C27H30N2O4S — CID 26378756

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C2CC2)cc1
InChIInChI=1S/C27H30N2O4S/c1-33-25-11-6-20(7-12-25)19-29(24-9-10-24)27(30)22-14-16-28(17-15-22)34(31,32)26-13-8-21-4-2-3-5-23(21)18-26/h2-8,11-13,18,22,24H,9-10,14-17,19H2,1H3
InChIKeyAKNGEPSEZQTRCZ-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.44
Rot. Bonds7

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26378756) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26378756
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C2CC2)cc1
InChIInChI=1S/C27H30N2O4S/c1-33-25-11-6-20(7-12-25)19-29(24-9-10-24)27(30)22-14-16-28(17-15-22)34(31,32)26-13-8-21-4-2-3-5-23(21)18-26/h2-8,11-13,18,22,24H,9-10,14-17,19H2,1H3
InChIKeyAKNGEPSEZQTRCZ-UHFFFAOYSA-N
XLogP4.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 32589694
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31425300
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55710323
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 25472551
N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55594107
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26378756) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AKNGEPSEZQTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-33-25-11-6-20(7-12-25)19-29(24-9-10-24)27(30)22-14-16-28(17-15-22)34(31,32)26-13-8-21-4-2-3-5-23(21)18-26/h2-8,11-13,18,22,24H,9-10,14-17,19H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26378756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).