N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C23H25N3O3S — CID 58055557

IUPACN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(C(=O)NO)ccc3C2)c(C)n1Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-14-10-21(15(2)26(14)13-20-4-3-9-30-20)23(28)24-19-8-7-16-11-18(22(27)25-29)6-5-17(16)12-19/h3-6,9-11,19,29H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRYLVRJXGRIVXJY-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.62
Rot. Bonds5

About N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 58055557) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID58055557
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(C(=O)NO)ccc3C2)c(C)n1Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-14-10-21(15(2)26(14)13-20-4-3-9-30-20)23(28)24-19-8-7-16-11-18(22(27)25-29)6-5-17(16)12-19/h3-6,9-11,19,29H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRYLVRJXGRIVXJY-UHFFFAOYSA-N
XLogP3.62
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55962947
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
2,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
[2-(cyclopentylamino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508652
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
CID 88580832
N-(3-butoxypropyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134031591
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56521315
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 87045786
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 58055557) is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCc3cc(C(=O)NO)ccc3C2)c(C)n1Cc1cccs1.
What is the InChIKey of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is RYLVRJXGRIVXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-10-21(15(2)26(14)13-20-4-3-9-30-20)23(28)24-19-8-7-16-11-18(22(27)25-29)6-5-17(16)12-19/h3-6,9-11,19,29H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 58055557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).