N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

C17H19ClN2O3S2 — CID 4882743

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c18-15-7-6-14(25(22,23)20-8-2-1-3-9-20)12-16(15)19-17(21)11-13-5-4-10-24-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,21)
InChIKeyDTBUVFPVLNHCGP-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.76
Rot. Bonds5

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 4882743) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
PubChem CID4882743
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c18-15-7-6-14(25(22,23)20-8-2-1-3-9-20)12-16(15)19-17(21)11-13-5-4-10-24-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,21)
InChIKeyDTBUVFPVLNHCGP-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamide deriv., 5c
CID 44520898
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
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N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
N-(2-((2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 4848431
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 3575923
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4800937
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987762
N-(2-chloro-4-fluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 16331852
N-(2-chloro-5-methylsulfonylphenyl)-2-thiophen-3-ylacetamide
CID 24241482
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 4081876

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (CID 4882743) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is DTBUVFPVLNHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c18-15-7-6-14(25(22,23)20-8-2-1-3-9-20)12-16(15)19-17(21)11-13-5-4-10-24-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,21).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 398.94 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4882743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).