2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide

C17H20ClN3O2S — CID 51199571

IUPAC2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O2S/c18-13-3-4-16(21-5-7-23-8-6-21)15(10-13)19-12-17(22)20-11-14-2-1-9-24-14/h1-4,9-10,19H,5-8,11-12H2,(H,20,22)
InChIKeyRRRVYFCXTIBBMF-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.97
Rot. Bonds6

About 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51199571) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51199571
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O2S/c18-13-3-4-16(21-5-7-23-8-6-21)15(10-13)19-12-17(22)20-11-14-2-1-9-24-14/h1-4,9-10,19H,5-8,11-12H2,(H,20,22)
InChIKeyRRRVYFCXTIBBMF-UHFFFAOYSA-N
XLogP2.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 9104932
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33216280
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 51199571) is 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1cc(Cl)ccc1N1CCOCC1)NCc1cccs1.
What is the InChIKey of 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RRRVYFCXTIBBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-13-3-4-16(21-5-7-23-8-6-21)15(10-13)19-12-17(22)20-11-14-2-1-9-24-14/h1-4,9-10,19H,5-8,11-12H2,(H,20,22).
What are the key properties of 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 365.89 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51199571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).