N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

C28H31N3O4S — CID 46763665

IUPACN-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O4S/c32-27(24-15-13-23(14-16-24)21-36(34,35)31-19-7-2-8-20-31)30-26-12-6-5-11-25(26)28(33)29-18-17-22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-21H2,(H,29,33)(H,30,32)
InChIKeyFEFMSKGCZHVMJI-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.23
Rot. Bonds9

About N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (PubChem CID 46763665) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
PubChem CID46763665
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC NameN-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O4S/c32-27(24-15-13-23(14-16-24)21-36(34,35)31-19-7-2-8-20-31)30-26-12-6-5-11-25(26)28(33)29-18-17-22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-21H2,(H,29,33)(H,30,32)
InChIKeyFEFMSKGCZHVMJI-UHFFFAOYSA-N
XLogP4.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 99960058
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 43923542
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 92672920
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 98055074
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 1316796
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (CID 46763665) is N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The InChIKey is FEFMSKGCZHVMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c32-27(24-15-13-23(14-16-24)21-36(34,35)31-19-7-2-8-20-31)30-26-12-6-5-11-25(26)28(33)29-18-17-22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-21H2,(H,29,33)(H,30,32).
What are the key properties of N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide has a molecular weight of 505.64 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 46763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).