N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H20ClN3O2S — CID 119937320

IUPACN-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2S.ClH/c18-13(8-12-10-20-7-6-15-12)16-9-14(19)17-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,16,18)(H,17,19);1H
InChIKeyATHQWPYINLMRAT-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.26
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937320) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937320
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2S.ClH/c18-13(8-12-10-20-7-6-15-12)16-9-14(19)17-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,16,18)(H,17,19);1H
InChIKeyATHQWPYINLMRAT-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941711
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937320) is N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is ATHQWPYINLMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c18-13(8-12-10-20-7-6-15-12)16-9-14(19)17-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).