2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide

C28H30N2O4S — CID 39080342

IUPAC2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)Nc1ccccc1
InChIInChI=1S/C28H30N2O4S/c31-27(29-26-9-5-2-6-10-26)21-35(33,34)20-24-11-13-25(14-12-24)28(32)30-17-15-23(16-18-30)19-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,29,31)
InChIKeyBHORDBCDNFYCCC-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.34
Rot. Bonds8

About 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide

2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide (PubChem CID 39080342) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide
PubChem CID39080342
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)Nc1ccccc1
InChIInChI=1S/C28H30N2O4S/c31-27(29-26-9-5-2-6-10-26)21-35(33,34)20-24-11-13-25(14-12-24)28(32)30-17-15-23(16-18-30)19-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,29,31)
InChIKeyBHORDBCDNFYCCC-UHFFFAOYSA-N
XLogP4.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]-N-phenylacetamide
CID 39080307
(3-benzylpyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 136527673
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
CID 39080347
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide (CID 39080342) is 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide is O=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide?
The InChIKey is BHORDBCDNFYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c31-27(29-26-9-5-2-6-10-26)21-35(33,34)20-24-11-13-25(14-12-24)28(32)30-17-15-23(16-18-30)19-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,29,31).
What are the key properties of 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide?
2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide has a molecular weight of 490.63 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide is sourced from PubChem (CID 39080342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).