N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C27H28N4O3S — CID 46513298

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1
InChIInChI=1S/C27H28N4O3S/c1-30-18-15-28-26(30)25(21-8-3-2-4-9-21)29-27(32)22-13-16-31(17-14-22)35(33,34)24-12-11-20-7-5-6-10-23(20)19-24/h2-12,15,18-19,22,25H,13-14,16-17H2,1H3,(H,29,32)
InChIKeyRKUGGBCHIAZXTN-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.88
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46513298) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID46513298
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1
InChIInChI=1S/C27H28N4O3S/c1-30-18-15-28-26(30)25(21-8-3-2-4-9-21)29-27(32)22-13-16-31(17-14-22)35(33,34)24-12-11-20-7-5-6-10-23(20)19-24/h2-12,15,18-19,22,25H,13-14,16-17H2,1H3,(H,29,32)
InChIKeyRKUGGBCHIAZXTN-UHFFFAOYSA-N
XLogP3.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25367078
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25358350
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25388747
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 25468462
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
CID 55718362
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26071216

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 46513298) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is Cn1ccnc1C(NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RKUGGBCHIAZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-30-18-15-28-26(30)25(21-8-3-2-4-9-21)29-27(32)22-13-16-31(17-14-22)35(33,34)24-12-11-20-7-5-6-10-23(20)19-24/h2-12,15,18-19,22,25H,13-14,16-17H2,1H3,(H,29,32).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46513298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).