N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

C19H22ClN3O2S — CID 55702129

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H22ClN3O2S/c20-15-3-4-18(22-7-9-25-10-8-22)16(12-15)21-19(24)23-6-1-2-17(23)14-5-11-26-13-14/h3-5,11-13,17H,1-2,6-10H2,(H,21,24)
InChIKeyBGYWWGJTOUCHOI-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.61
Rot. Bonds3

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 55702129) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID55702129
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H22ClN3O2S/c20-15-3-4-18(22-7-9-25-10-8-22)16(12-15)21-19(24)23-6-1-2-17(23)14-5-11-26-13-14/h3-5,11-13,17H,1-2,6-10H2,(H,21,24)
InChIKeyBGYWWGJTOUCHOI-UHFFFAOYSA-N
XLogP4.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 47034754
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94102635
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75400112
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
[4-(aminomethyl)oxan-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115439243
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 55702129) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC1c1ccsc1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is BGYWWGJTOUCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-15-3-4-18(22-7-9-25-10-8-22)16(12-15)21-19(24)23-6-1-2-17(23)14-5-11-26-13-14/h3-5,11-13,17H,1-2,6-10H2,(H,21,24).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 55702129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).