2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide

C9H13N3O4S3 — CID 106272189

IUPAC2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H13N3O4S3/c10-7(13)5-16-4-3-12-19(14,15)8-2-1-6(18-8)9(11)17/h1-2,12H,3-5H2,(H2,10,13)(H2,11,17)
InChIKeyFNSKLOXEBIQZQS-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.84
Rot. Bonds8

About 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide

2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide (PubChem CID 106272189) has the molecular formula C9H13N3O4S3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
PubChem CID106272189
Molecular FormulaC9H13N3O4S3
Molecular Weight323.42 g/mol
Exact Mass323.01
IUPAC Name2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H13N3O4S3/c10-7(13)5-16-4-3-12-19(14,15)8-2-1-6(18-8)9(11)17/h1-2,12H,3-5H2,(H2,10,13)(H2,11,17)
InChIKeyFNSKLOXEBIQZQS-UHFFFAOYSA-N
XLogP-0.84
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethoxy]acetamide
CID 106235531
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
CID 106271155
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096
5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
CID 106270612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide (CID 106272189) is 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide is NC(=O)COCCNS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide?
The InChIKey is FNSKLOXEBIQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S3/c10-7(13)5-16-4-3-12-19(14,15)8-2-1-6(18-8)9(11)17/h1-2,12H,3-5H2,(H2,10,13)(H2,11,17).
What are the key properties of 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide?
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide has a molecular weight of 323.42 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106272189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).