2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H11BrF3N3O2S — CID 47332215

IUPAC2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCc1cc(Br)cs1)NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N3O2S/c11-6-1-7(20-4-6)2-15-9(19)16-3-8(18)17-5-10(12,13)14/h1,4H,2-3,5H2,(H,17,18)(H2,15,16,19)
InChIKeyQBTVFMLKPOISKP-UHFFFAOYSA-N
MW374.18 g/mol
LogP1.99
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47332215) has the molecular formula C10H11BrF3N3O2S and a molecular weight of 374.18 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47332215
Molecular FormulaC10H11BrF3N3O2S
Molecular Weight374.18 g/mol
Exact Mass372.97
IUPAC Name2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCc1cc(Br)cs1)NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N3O2S/c11-6-1-7(20-4-6)2-15-9(19)16-3-8(18)17-5-10(12,13)14/h1,4H,2-3,5H2,(H,17,18)(H2,15,16,19)
InChIKeyQBTVFMLKPOISKP-UHFFFAOYSA-N
XLogP1.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47332215) is 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)NCc1cc(Br)cs1)NCC(F)(F)F.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QBTVFMLKPOISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O2S/c11-6-1-7(20-4-6)2-15-9(19)16-3-8(18)17-5-10(12,13)14/h1,4H,2-3,5H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 374.18 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47332215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).