N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C19H24N2OS — CID 97021387

IUPACN-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](c1cccs1)N(C)C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-15(18-6-5-13-23-18)20(2)19(22)17-9-7-16(8-10-17)14-21-11-3-4-12-21/h5-10,13,15H,3-4,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyFYPHJVJLNYYTKL-OAHLLOKOSA-N
MW328.48 g/mol
LogP4.18
Rot. Bonds5

About N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 97021387) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID97021387
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](c1cccs1)N(C)C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-15(18-6-5-13-23-18)20(2)19(22)17-9-7-16(8-10-17)14-21-11-3-4-12-21/h5-10,13,15H,3-4,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyFYPHJVJLNYYTKL-OAHLLOKOSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72895408
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 95216265
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394566
1-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 25470742
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 97021387) is N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@H](c1cccs1)N(C)C(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is FYPHJVJLNYYTKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15(18-6-5-13-23-18)20(2)19(22)17-9-7-16(8-10-17)14-21-11-3-4-12-21/h5-10,13,15H,3-4,11-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 97021387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).