N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide

C21H27N3O2S — CID 1066262

IUPACN,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)18-14-16(9-10-19(18)24-11-5-6-12-24)22-20(25)15-17-8-7-13-27-17/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,22,25)
InChIKeyQILAPFHZUBYFCC-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.01
Rot. Bonds7

About N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide

N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 1066262) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID1066262
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)18-14-16(9-10-19(18)24-11-5-6-12-24)22-20(25)15-17-8-7-13-27-17/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,22,25)
InChIKeyQILAPFHZUBYFCC-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066303
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42675249
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1064756
4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42673267

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 1066262) is N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide is CCN(CC)C(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCCC1.
What is the InChIKey of N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is QILAPFHZUBYFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)18-14-16(9-10-19(18)24-11-5-6-12-24)22-20(25)15-17-8-7-13-27-17/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,22,25).
What are the key properties of N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 385.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 1066262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).