N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

C16H17ClN2O4S2 — CID 4800937

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17ClN2O4S2/c17-14-4-3-12(18-16(20)11-13-2-1-9-24-13)10-15(14)25(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2,(H,18,20)
InChIKeyFYLQTYPCZZVTDT-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.60
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 4800937) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
PubChem CID4800937
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17ClN2O4S2/c17-14-4-3-12(18-16(20)11-13-2-1-9-24-13)10-15(14)25(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2,(H,18,20)
InChIKeyFYLQTYPCZZVTDT-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4093593
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
N-(4-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1117949
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4882743
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6110967
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
CID 24979581
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 4012245

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (CID 4800937) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is FYLQTYPCZZVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c17-14-4-3-12(18-16(20)11-13-2-1-9-24-13)10-15(14)25(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2,(H,18,20).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 400.91 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4800937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).