2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide

C18H20Cl3N3O3S2 — CID 55478057

IUPAC2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20Cl3N3O3S2/c1-11(18(25)22-16-10-14(20)13(19)9-15(16)21)24-6-4-12(5-7-24)23-29(26,27)17-3-2-8-28-17/h2-3,8-12,23H,4-7H2,1H3,(H,22,25)
InChIKeyGQWNSEYMWSAPSX-UHFFFAOYSA-N
MW496.87 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide

2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 55478057) has the molecular formula C18H20Cl3N3O3S2 and a molecular weight of 496.87 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID55478057
Molecular FormulaC18H20Cl3N3O3S2
Molecular Weight496.87 g/mol
Exact Mass495.00
IUPAC Name2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20Cl3N3O3S2/c1-11(18(25)22-16-10-14(20)13(19)9-15(16)21)24-6-4-12(5-7-24)23-29(26,27)17-3-2-8-28-17/h2-3,8-12,23H,4-7H2,1H3,(H,22,25)
InChIKeyGQWNSEYMWSAPSX-UHFFFAOYSA-N
XLogP4.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.87
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
CID 42929202
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
methyl 4-chloro-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]sulfonylbenzoate
CID 30872655
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (CID 55478057) is 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is CC(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is GQWNSEYMWSAPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N3O3S2/c1-11(18(25)22-16-10-14(20)13(19)9-15(16)21)24-6-4-12(5-7-24)23-29(26,27)17-3-2-8-28-17/h2-3,8-12,23H,4-7H2,1H3,(H,22,25).
What are the key properties of 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 496.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 55478057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).