2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide

C25H33N3O5S2 — CID 3202258

IUPAC2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C25H33N3O5S2/c1-20-9-7-8-18-27(20)34(30,31)23-14-16-24(17-15-23)35(32,33)28(22-12-5-6-13-22)19-25(29)26-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3,(H,26,29)
InChIKeyIESVOILYQKMGQZ-UHFFFAOYSA-N
MW519.69 g/mol
LogP3.82
Rot. Bonds8

About 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide

2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide (PubChem CID 3202258) has the molecular formula C25H33N3O5S2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide
PubChem CID3202258
Molecular FormulaC25H33N3O5S2
Molecular Weight519.69 g/mol
Exact Mass519.19
IUPAC Name2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C25H33N3O5S2/c1-20-9-7-8-18-27(20)34(30,31)23-14-16-24(17-15-23)35(32,33)28(22-12-5-6-13-22)19-25(29)26-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3,(H,26,29)
InChIKeyIESVOILYQKMGQZ-UHFFFAOYSA-N
XLogP3.82
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 6551567
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104629
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
CID 46662394
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 1002068
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 98104560

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide (CID 3202258) is 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide is CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide?
The InChIKey is IESVOILYQKMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S2/c1-20-9-7-8-18-27(20)34(30,31)23-14-16-24(17-15-23)35(32,33)28(22-12-5-6-13-22)19-25(29)26-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3,(H,26,29).
What are the key properties of 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide?
2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide has a molecular weight of 519.69 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 3202258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).