N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide

C20H23N3O3S — CID 1252205

IUPACN-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C20H23N3O3S/c24-19(18-4-3-13-27-18)21-16-14-15(20(25)23-9-11-26-12-10-23)5-6-17(16)22-7-1-2-8-22/h3-6,13-14H,1-2,7-12H2,(H,21,24)
InChIKeyGBGXXBASQXZSOJ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.07
Rot. Bonds4

About N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide

N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 1252205) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID1252205
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C20H23N3O3S/c24-19(18-4-3-13-27-18)21-16-14-15(20(25)23-9-11-26-12-10-23)5-6-17(16)22-7-1-2-8-22/h3-6,13-14H,1-2,7-12H2,(H,21,24)
InChIKeyGBGXXBASQXZSOJ-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

HDAC inhibitor, Compound 1
CID 6918878
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218555
N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218556
N-(2-amino-5-thiophen-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 153555143
N-(2-amino-5-thiophen-2-ylphenyl)-1-(3-morpholin-4-ylpropyl)-2-oxo-3H-indole-5-carboxamide
CID 153555189
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218560
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653
Cambridge id 7093803
CID 2925804
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828

Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (CID 1252205) is N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1.
What is the InChIKey of N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is GBGXXBASQXZSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19(18-4-3-13-27-18)21-16-14-15(20(25)23-9-11-26-12-10-23)5-6-17(16)22-7-1-2-8-22/h3-6,13-14H,1-2,7-12H2,(H,21,24).
What are the key properties of N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1252205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).