N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide

C16H20N2O4S2 — CID 3160786

IUPACN-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-22-10-3-9-17-24(20,21)15-7-5-13(6-8-15)18-16(19)12-14-4-2-11-23-14/h2,4-8,11,17H,3,9-10,12H2,1H3,(H,18,19)
InChIKeyQADOSVKHCQXDRE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.24
Rot. Bonds9

About N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 3160786) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID3160786
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-22-10-3-9-17-24(20,21)15-7-5-13(6-8-15)18-16(19)12-14-4-2-11-23-14/h2,4-8,11,17H,3,9-10,12H2,1H3,(H,18,19)
InChIKeyQADOSVKHCQXDRE-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
N-[4-(propylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide
CID 38356025
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide (CID 3160786) is N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide is COCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is QADOSVKHCQXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-22-10-3-9-17-24(20,21)15-7-5-13(6-8-15)18-16(19)12-14-4-2-11-23-14/h2,4-8,11,17H,3,9-10,12H2,1H3,(H,18,19).
What are the key properties of N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 368.48 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3160786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).