N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide

C15H16F3N5O3S — CID 91240134

IUPACN-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
SMILESO=CN(O)CC(CCc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O3S/c16-15(17,18)12-5-6-19-14(20-12)22-21-13(25)10(8-23(26)9-24)3-4-11-2-1-7-27-11/h1-2,5-7,9-10,26H,3-4,8H2,(H,21,25)(H,19,20,22)
InChIKeyAKDPWYSISAKRCO-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.10
Rot. Bonds9

About N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide

N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide (PubChem CID 91240134) has the molecular formula C15H16F3N5O3S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
PubChem CID91240134
Molecular FormulaC15H16F3N5O3S
Molecular Weight403.39 g/mol
Exact Mass403.09
IUPAC NameN-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
SMILESO=CN(O)CC(CCc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O3S/c16-15(17,18)12-5-6-19-14(20-12)22-21-13(25)10(8-23(26)9-24)3-4-11-2-1-7-27-11/h1-2,5-7,9-10,26H,3-4,8H2,(H,21,25)(H,19,20,22)
InChIKeyAKDPWYSISAKRCO-UHFFFAOYSA-N
XLogP2.10
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide?
The IUPAC name of N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide (CID 91240134) is N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide.
What is the SMILES notation for N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide?
The canonical SMILES for N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide is O=CN(O)CC(CCc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide?
The InChIKey is AKDPWYSISAKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3S/c16-15(17,18)12-5-6-19-14(20-12)22-21-13(25)10(8-23(26)9-24)3-4-11-2-1-7-27-11/h1-2,5-7,9-10,26H,3-4,8H2,(H,21,25)(H,19,20,22).
What are the key properties of N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide?
N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide has a molecular weight of 403.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide is sourced from PubChem (CID 91240134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).