2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C27H31N3O4S — CID 55499047

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O4S/c1-20-13-14-25(34-2)24(19-20)28-27(31)26(21-9-5-3-6-10-21)30-17-15-22(16-18-30)29-35(32,33)23-11-7-4-8-12-23/h3-14,19,22,26,29H,15-18H2,1-2H3,(H,28,31)
InChIKeyMOVDKENPIUYQJU-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.13
Rot. Bonds8

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 55499047) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID55499047
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O4S/c1-20-13-14-25(34-2)24(19-20)28-27(31)26(21-9-5-3-6-10-21)30-17-15-22(16-18-30)29-35(32,33)23-11-7-4-8-12-23/h3-14,19,22,26,29H,15-18H2,1-2H3,(H,28,31)
InChIKeyMOVDKENPIUYQJU-UHFFFAOYSA-N
XLogP4.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2471626
(2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 8726424
(3S,4S)-1-[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120685
(2S)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 30723507
N-(2-methoxy-5-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-phenylacetamide
CID 3636513
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 41169147
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55505861
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 18137919
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16554558
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 55499047) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)C(c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is MOVDKENPIUYQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-20-13-14-25(34-2)24(19-20)28-27(31)26(21-9-5-3-6-10-21)30-17-15-22(16-18-30)29-35(32,33)23-11-7-4-8-12-23/h3-14,19,22,26,29H,15-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 493.63 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 55499047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).