N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide

C15H19N5O3S — CID 87264268

IUPACN-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
SMILESCc1ccnc(NNC(=O)C(CCc2cccs2)CN(O)C=O)n1
InChIInChI=1S/C15H19N5O3S/c1-11-6-7-16-15(17-11)19-18-14(22)12(9-20(23)10-21)4-5-13-3-2-8-24-13/h2-3,6-8,10,12,23H,4-5,9H2,1H3,(H,18,22)(H,16,17,19)
InChIKeyAVJYOBOPIOFGBO-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.39
Rot. Bonds9

About N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide

N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide (PubChem CID 87264268) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
PubChem CID87264268
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
SMILESCc1ccnc(NNC(=O)C(CCc2cccs2)CN(O)C=O)n1
InChIInChI=1S/C15H19N5O3S/c1-11-6-7-16-15(17-11)19-18-14(22)12(9-20(23)10-21)4-5-13-3-2-8-24-13/h2-3,6-8,10,12,23H,4-5,9H2,1H3,(H,18,22)(H,16,17,19)
InChIKeyAVJYOBOPIOFGBO-UHFFFAOYSA-N
XLogP1.39
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.39
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-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide with MolForge

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

Launch Full Analysis

Related Compounds

N-hydroxy-N-[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264297
N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264301
N-hydroxy-N-[(2R)-4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 87264502
N-hydroxy-N-[(2S)-4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 87264504
N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide
CID 87694598
N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 90893638
N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 91240134
N-hydroxy-N-[(2R)-2-[[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264220
N-hydroxy-N-[(2S)-2-[[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264221
N-hydroxy-N-[(2S)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
CID 87264274
N-hydroxy-N-[(2R)-3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
CID 87264490
N-hydroxy-N-[(2S)-3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
CID 87264492

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide (CID 87264268) is N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide is Cc1ccnc(NNC(=O)C(CCc2cccs2)CN(O)C=O)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide?
The InChIKey is AVJYOBOPIOFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11-6-7-16-15(17-11)19-18-14(22)12(9-20(23)10-21)4-5-13-3-2-8-24-13/h2-3,6-8,10,12,23H,4-5,9H2,1H3,(H,18,22)(H,16,17,19).
What are the key properties of N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide?
N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide has a molecular weight of 349.42 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide is sourced from PubChem (CID 87264268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).