2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

C28H32FN3O4S2 — CID 46108379

IUPAC2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H32FN3O4S2/c1-2-15-31(38(35,36)25-10-4-3-5-11-25)21-27(33)32(20-22-8-6-9-23(29)19-22)24-13-16-30(17-14-24)28(34)26-12-7-18-37-26/h3-12,18-19,24H,2,13-17,20-21H2,1H3
InChIKeyQEOKXYPKGMXFFC-UHFFFAOYSA-N
MW557.71 g/mol
LogP4.62
Rot. Bonds10

About 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46108379) has the molecular formula C28H32FN3O4S2 and a molecular weight of 557.71 g/mol. Its IUPAC name is 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46108379
Molecular FormulaC28H32FN3O4S2
Molecular Weight557.71 g/mol
Exact Mass557.18
IUPAC Name2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H32FN3O4S2/c1-2-15-31(38(35,36)25-10-4-3-5-11-25)21-27(33)32(20-22-8-6-9-23(29)19-22)24-13-16-30(17-14-24)28(34)26-12-7-18-37-26/h3-12,18-19,24H,2,13-17,20-21H2,1H3
InChIKeyQEOKXYPKGMXFFC-UHFFFAOYSA-N
XLogP4.62
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.71
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362
N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 46108102
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 46108714
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 46108750
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108060
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 42880683
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-benzylamino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46108884
2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 42880718
N-(1-benzoylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 46107971
ethyl 4-[4-[[2-[ethylsulfonyl(2-methoxyethyl)amino]acetyl]-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 46108834
N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
CID 42880726
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (CID 46108379) is 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is QEOKXYPKGMXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4S2/c1-2-15-31(38(35,36)25-10-4-3-5-11-25)21-27(33)32(20-22-8-6-9-23(29)19-22)24-13-16-30(17-14-24)28(34)26-12-7-18-37-26/h3-12,18-19,24H,2,13-17,20-21H2,1H3.
What are the key properties of 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 557.71 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46108379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).