2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide

C33H38FN3O5S — CID 46108349

IUPAC2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)COCc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C33H38FN3O5S/c1-25-7-15-31(16-8-25)43(40,41)37(30-13-14-30)22-32(38)36(21-26-9-11-28(34)12-10-26)29-17-19-35(20-18-29)33(39)24-42-23-27-5-3-2-4-6-27/h2-12,15-16,29-30H,13-14,17-24H2,1H3
InChIKeyPFOVLDUGKJRKJU-UHFFFAOYSA-N
MW607.75 g/mol
LogP4.52
Rot. Bonds12

About 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide

2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide (PubChem CID 46108349) has the molecular formula C33H38FN3O5S and a molecular weight of 607.75 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide
PubChem CID46108349
Molecular FormulaC33H38FN3O5S
Molecular Weight607.75 g/mol
Exact Mass607.25
IUPAC Name2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)COCc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C33H38FN3O5S/c1-25-7-15-31(16-8-25)43(40,41)37(30-13-14-30)22-32(38)36(21-26-9-11-28(34)12-10-26)29-17-19-35(20-18-29)33(39)24-42-23-27-5-3-2-4-6-27/h2-12,15-16,29-30H,13-14,17-24H2,1H3
InChIKeyPFOVLDUGKJRKJU-UHFFFAOYSA-N
XLogP4.52
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.75
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]acetamide
CID 46108351
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 46108332
4-[[2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 46108452
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 46108750
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108060
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2950979
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108058
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide (CID 46108349) is 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)COCc3ccccc3)CC2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide?
The InChIKey is PFOVLDUGKJRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN3O5S/c1-25-7-15-31(16-8-25)43(40,41)37(30-13-14-30)22-32(38)36(21-26-9-11-28(34)12-10-26)29-17-19-35(20-18-29)33(39)24-42-23-27-5-3-2-4-6-27/h2-12,15-16,29-30H,13-14,17-24H2,1H3.
What are the key properties of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide?
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide has a molecular weight of 607.75 g/mol, XLogP of 4.52, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).