2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide

C24H28N4O3S — CID 25468462

IUPAC2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C24H28N4O3S/c1-18-11-12-20(32(30,31)28-14-7-4-8-15-28)17-21(18)24(29)26-22(19-9-5-3-6-10-19)23-25-13-16-27(23)2/h3,5-6,9-13,16-17,22H,4,7-8,14-15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyMNRTYQJEZVUAKR-JOCHJYFZSA-N
MW452.58 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 25468462) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID25468462
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C24H28N4O3S/c1-18-11-12-20(32(30,31)28-14-7-4-8-15-28)17-21(18)24(29)26-22(19-9-5-3-6-10-19)23-25-13-16-27(23)2/h3,5-6,9-13,16-17,22H,4,7-8,14-15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyMNRTYQJEZVUAKR-JOCHJYFZSA-N
XLogP3.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25367078
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 46513298
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43046126
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27034480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide (CID 25468462) is 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MNRTYQJEZVUAKR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-11-12-20(32(30,31)28-14-7-4-8-15-28)17-21(18)24(29)26-22(19-9-5-3-6-10-19)23-25-13-16-27(23)2/h3,5-6,9-13,16-17,22H,4,7-8,14-15H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25468462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).