N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

C15H18N2O4S2 — CID 108736019

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-9-8-17-23(19,20)13-6-4-12(5-7-13)11-16-15(18)14-3-2-10-22-14/h2-7,10,17H,8-9,11H2,1H3,(H,16,18)
InChIKeyWVLRRMLYYGQPTR-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.60
Rot. Bonds8

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 108736019) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID108736019
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-9-8-17-23(19,20)13-6-4-12(5-7-13)11-16-15(18)14-3-2-10-22-14/h2-7,10,17H,8-9,11H2,1H3,(H,16,18)
InChIKeyWVLRRMLYYGQPTR-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.60
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

methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
N-benzylthiophene-2-carboxamide
CID 574227
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
1-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892345
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 108736019) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is COCCNS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is WVLRRMLYYGQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-21-9-8-17-23(19,20)13-6-4-12(5-7-13)11-16-15(18)14-3-2-10-22-14/h2-7,10,17H,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 108736019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).