2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide

C12H14FN3O3S2 — CID 63288468

IUPAC2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H14FN3O3S2/c13-10-4-3-8(5-9(10)12(14)20)21(18,19)15-6-11(17)16-7-1-2-7/h3-5,7,15H,1-2,6H2,(H2,14,20)(H,16,17)
InChIKeyFNWGKRCWUPPHMM-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.02
Rot. Bonds6

About 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide

2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 63288468) has the molecular formula C12H14FN3O3S2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID63288468
Molecular FormulaC12H14FN3O3S2
Molecular Weight331.39 g/mol
Exact Mass331.05
IUPAC Name2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H14FN3O3S2/c13-10-4-3-8(5-9(10)12(14)20)21(18,19)15-6-11(17)16-7-1-2-7/h3-5,7,15H,1-2,6H2,(H2,14,20)(H,16,17)
InChIKeyFNWGKRCWUPPHMM-UHFFFAOYSA-N
XLogP0.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63239304
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
2-fluoro-5-(2-pyrrolidin-1-ylethylsulfamoyl)benzenecarbothioamide
CID 63289015
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
5-[(2,2-dimethylcyclopentyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 79871093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (CID 63288468) is 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide is NC(=S)c1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F.
What is the InChIKey of 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is FNWGKRCWUPPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S2/c13-10-4-3-8(5-9(10)12(14)20)21(18,19)15-6-11(17)16-7-1-2-7/h3-5,7,15H,1-2,6H2,(H2,14,20)(H,16,17).
What are the key properties of 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 331.39 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 63288468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).