2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide

C21H27N3O2S — CID 51265442

IUPAC2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C21H27N3O2S/c1-16-7-2-3-8-17(16)21(26)22-11-10-20(25)23-15-18(19-9-6-14-27-19)24-12-4-5-13-24/h2-3,6-9,14,18H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyAVECQFSEILWGAU-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.13
Rot. Bonds8

About 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide

2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide (PubChem CID 51265442) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide
PubChem CID51265442
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C21H27N3O2S/c1-16-7-2-3-8-17(16)21(26)22-11-10-20(25)23-15-18(19-9-6-14-27-19)24-12-4-5-13-24/h2-3,6-9,14,18H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyAVECQFSEILWGAU-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide with MolForge

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide (CID 51265442) is 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide?
The InChIKey is AVECQFSEILWGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-7-2-3-8-17(16)21(26)22-11-10-20(25)23-15-18(19-9-6-14-27-19)24-12-4-5-13-24/h2-3,6-9,14,18H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide?
2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide has a molecular weight of 385.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propyl]benzamide is sourced from PubChem (CID 51265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).