2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

C11H17N3O4S3 — CID 106270760

IUPAC2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H17N3O4S3/c1-14(7-9(15)13-5-6-18-2)21(16,17)10-4-3-8(20-10)11(12)19/h3-4H,5-7H2,1-2H3,(H2,12,19)(H,13,15)
InChIKeyRLIAWUDAFFBYQP-UHFFFAOYSA-N
MW351.48 g/mol
LogP-0.23
Rot. Bonds8

About 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 106270760) has the molecular formula C11H17N3O4S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID106270760
Molecular FormulaC11H17N3O4S3
Molecular Weight351.48 g/mol
Exact Mass351.04
IUPAC Name2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H17N3O4S3/c1-14(7-9(15)13-5-6-18-2)21(16,17)10-4-3-8(20-10)11(12)19/h3-4H,5-7H2,1-2H3,(H2,12,19)(H,13,15)
InChIKeyRLIAWUDAFFBYQP-UHFFFAOYSA-N
XLogP-0.23
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
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-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)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

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 38253533
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 61115700
N-(2-methoxyethyl)-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60716095
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 106270760) is 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RLIAWUDAFFBYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S3/c1-14(7-9(15)13-5-6-18-2)21(16,17)10-4-3-8(20-10)11(12)19/h3-4H,5-7H2,1-2H3,(H2,12,19)(H,13,15).
What are the key properties of 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 351.48 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 106270760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).