N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide

C20H23N3O2S — CID 60610178

IUPACN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C20H23N3O2S/c24-19(9-8-17-3-1-2-10-21-17)22-18-6-4-16(5-7-18)15-20(25)23-11-13-26-14-12-23/h1-7,10H,8-9,11-15H2,(H,22,24)
InChIKeyUNNHIJUYBQUEOR-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.77
Rot. Bonds6

About N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 60610178) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide
PubChem CID60610178
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C20H23N3O2S/c24-19(9-8-17-3-1-2-10-21-17)22-18-6-4-16(5-7-18)15-20(25)23-11-13-26-14-12-23/h1-7,10H,8-9,11-15H2,(H,22,24)
InChIKeyUNNHIJUYBQUEOR-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
3-(4-methoxyphenyl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55647017
N',N'-diethyl-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanediamide
CID 56520484
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
CID 120590930
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
4-(5-chlorothiophen-2-yl)-4-oxo-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]butanamide
CID 55933437
3-(2-fluorophenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55672835
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide (CID 60610178) is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)Nc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UNNHIJUYBQUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(9-8-17-3-1-2-10-21-17)22-18-6-4-16(5-7-18)15-20(25)23-11-13-26-14-12-23/h1-7,10H,8-9,11-15H2,(H,22,24).
What are the key properties of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide?
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60610178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).