2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide

C10H10F3N3O2S — CID 43247407

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)5-1-2-7(6(14)3-5)19-4-8(17)16-9(15)18/h1-3H,4,14H2,(H3,15,16,17,18)
InChIKeyYHNAVLXFOHGGJY-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide (PubChem CID 43247407) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide
PubChem CID43247407
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)5-1-2-7(6(14)3-5)19-4-8(17)16-9(15)18/h1-3H,4,14H2,(H3,15,16,17,18)
InChIKeyYHNAVLXFOHGGJY-UHFFFAOYSA-N
XLogP1.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetyl]carbamate
CID 43251143
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 43134958
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 43251125
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 61320071
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 43251149
2-(2,2,2-trifluoroethylsulfanyl)-5-(trifluoromethyl)aniline
CID 43134972
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 43134935

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide (CID 43247407) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide is NC(=O)NC(=O)CSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide?
The InChIKey is YHNAVLXFOHGGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c11-10(12,13)5-1-2-7(6(14)3-5)19-4-8(17)16-9(15)18/h1-3H,4,14H2,(H3,15,16,17,18).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide has a molecular weight of 293.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide is sourced from PubChem (CID 43247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).