2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide

C11H15N3O4S2 — CID 106237183

IUPAC2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C11H15N3O4S2/c12-10(15)7-18-5-4-14-20(16,17)9-3-1-2-8(6-9)11(13)19/h1-3,6,14H,4-5,7H2,(H2,12,15)(H2,13,19)
InChIKeySUDPOZVZIFRXHX-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.90
Rot. Bonds8

About 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide

2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide (PubChem CID 106237183) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
PubChem CID106237183
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC Name2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C11H15N3O4S2/c12-10(15)7-18-5-4-14-20(16,17)9-3-1-2-8(6-9)11(13)19/h1-3,6,14H,4-5,7H2,(H2,12,15)(H2,13,19)
InChIKeySUDPOZVZIFRXHX-UHFFFAOYSA-N
XLogP-0.90
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
3-(2-sulfamoylethylsulfamoyl)benzenecarbothioamide
CID 43552526
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
3-(2-methylpropylsulfamoyl)benzenecarbothioamide
CID 24692710
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide
CID 43310617
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethylacetamide
CID 43567096
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide (CID 106237183) is 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide is NC(=O)COCCNS(=O)(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide?
The InChIKey is SUDPOZVZIFRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c12-10(15)7-18-5-4-14-20(16,17)9-3-1-2-8(6-9)11(13)19/h1-3,6,14H,4-5,7H2,(H2,12,15)(H2,13,19).
What are the key properties of 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide?
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide has a molecular weight of 317.39 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106237183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).