N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide

C15H17ClN2O2S — CID 111544047

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
SMILESO=C(CN(CCO)c1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-17-15(20)11-18(8-9-19)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,17,20)
InChIKeyQSSUIGKUCRCFNE-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.52
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide (PubChem CID 111544047) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
PubChem CID111544047
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
SMILESO=C(CN(CCO)c1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-17-15(20)11-18(8-9-19)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,17,20)
InChIKeyQSSUIGKUCRCFNE-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[2-(4-fluorophenyl)ethyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877219
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86937011
N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
CID 124849999
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
CID 33177904
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
2-[3-[(5-chlorothiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 138042604
N-(2-bromophenyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877208

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide (CID 111544047) is N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide is O=C(CN(CCO)c1ccccc1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide?
The InChIKey is QSSUIGKUCRCFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-17-15(20)11-18(8-9-19)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,17,20).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide has a molecular weight of 324.83 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide is sourced from PubChem (CID 111544047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).