N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

C21H22N4O2S — CID 113035749

IUPACN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2N2CCOCC2)cn1
InChIInChI=1S/C21H22N4O2S/c26-21(14-17-4-3-13-28-17)24-20-8-7-16(15-22-20)23-18-5-1-2-6-19(18)25-9-11-27-12-10-25/h1-8,13,15,23H,9-12,14H2,(H,22,24,26)
InChIKeyTVTUUXMAEFBVOH-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.90
Rot. Bonds6

About N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113035749) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113035749
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2N2CCOCC2)cn1
InChIInChI=1S/C21H22N4O2S/c26-21(14-17-4-3-13-28-17)24-20-8-7-16(15-22-20)23-18-5-1-2-6-19(18)25-9-11-27-12-10-25/h1-8,13,15,23H,9-12,14H2,(H,22,24,26)
InChIKeyTVTUUXMAEFBVOH-UHFFFAOYSA-N
XLogP3.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035740
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
4-[2-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]phenyl]morpholine
CID 113035765
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 113035749) is N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccccc2N2CCOCC2)cn1.
What is the InChIKey of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is TVTUUXMAEFBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-21(14-17-4-3-13-28-17)24-20-8-7-16(15-22-20)23-18-5-1-2-6-19(18)25-9-11-27-12-10-25/h1-8,13,15,23H,9-12,14H2,(H,22,24,26).
What are the key properties of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 394.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).