N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide

C17H18N2O2S — CID 119513719

IUPACN-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16(15-8-4-10-22-15)13-6-1-2-7-14(13)17(21)19-11-12-5-3-9-18-12/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,19,21)
InChIKeyYFZLTDRHEJXLMQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.46
Rot. Bonds5

About N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide

N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide (PubChem CID 119513719) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
PubChem CID119513719
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16(15-8-4-10-22-15)13-6-1-2-7-14(13)17(21)19-11-12-5-3-9-18-12/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,19,21)
InChIKeyYFZLTDRHEJXLMQ-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide (CID 119513719) is N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide is O=C(NCC1CCCN1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is YFZLTDRHEJXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(15-8-4-10-22-15)13-6-1-2-7-14(13)17(21)19-11-12-5-3-9-18-12/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,19,21).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide?
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 119513719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).