2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide

C17H20ClN3O2S — CID 39998851

IUPAC2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O2S/c18-14-4-1-5-15(17(14)21-6-8-23-9-7-21)19-12-16(22)20-11-13-3-2-10-24-13/h1-5,10,19H,6-9,11-12H2,(H,20,22)
InChIKeyHGBVAVMZWLJZOU-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.97
Rot. Bonds6

About 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39998851) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39998851
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O2S/c18-14-4-1-5-15(17(14)21-6-8-23-9-7-21)19-12-16(22)20-11-13-3-2-10-24-13/h1-5,10,19H,6-9,11-12H2,(H,20,22)
InChIKeyHGBVAVMZWLJZOU-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

3-chloro-4-(morpholin-4-yl)-N-(thiophen-2-ylmethyl)aniline
CID 755952
N-[3-chloro-2-(4-morpholinyl)phenyl]-2-thiophenecarboxamide
CID 952677
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5958443
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340
N-({[3-chloro-2-(4-morpholinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 1254646
N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 2963772
1-(4-Chlorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 9551601
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1443660
N1-(3-chloro-4-fluorophenyl)-N2-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)oxalamide
CID 16887370
N1-(2,4-difluorophenyl)-N2-(2-morpholino-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589173
N1-(3,4-difluorophenyl)-N2-(2-morpholino-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589176
N'-(2-fluorophenyl)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]ethanediamide
CID 18589172

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 39998851) is 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1cccs1.
What is the InChIKey of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HGBVAVMZWLJZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-14-4-1-5-15(17(14)21-6-8-23-9-7-21)19-12-16(22)20-11-13-3-2-10-24-13/h1-5,10,19H,6-9,11-12H2,(H,20,22).
What are the key properties of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-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-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39998851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).