N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide

C17H17NO4S — CID 97013902

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NC[C@@H]1COCCO1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C17H17NO4S/c19-16(15-6-3-9-23-15)13-4-1-2-5-14(13)17(20)18-10-12-11-21-7-8-22-12/h1-6,9,12H,7-8,10-11H2,(H,18,20)/t12-/m1/s1
InChIKeyCVYHFZPFQBQWCS-GFCCVEGCSA-N
MW331.39 g/mol
LogP2.12
Rot. Bonds5

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 97013902) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID97013902
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NC[C@@H]1COCCO1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C17H17NO4S/c19-16(15-6-3-9-23-15)13-4-1-2-5-14(13)17(20)18-10-12-11-21-7-8-22-12/h1-6,9,12H,7-8,10-11H2,(H,18,20)/t12-/m1/s1
InChIKeyCVYHFZPFQBQWCS-GFCCVEGCSA-N
XLogP2.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide 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-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
CID 97013900
N-(1,4-dioxan-2-ylmethyl)-2-(4-fluorobenzoyl)benzamide
CID 71938613
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 94652918
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide (CID 97013902) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide is O=C(NC[C@@H]1COCCO1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is CVYHFZPFQBQWCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-16(15-6-3-9-23-15)13-4-1-2-5-14(13)17(20)18-10-12-11-21-7-8-22-12/h1-6,9,12H,7-8,10-11H2,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 331.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 97013902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).