2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide

C14H19ClN2O2S2 — CID 84585925

IUPAC2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)c1ccc(Cl)s1)C(=O)N1CCSCC1
InChIInChI=1S/C14H19ClN2O2S2/c1-9(11-3-4-12(15)21-11)13(18)16-10(2)14(19)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyPQKHMGILUVULQN-UHFFFAOYSA-N
MW346.91 g/mol
LogP2.59
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide

2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide (PubChem CID 84585925) has the molecular formula C14H19ClN2O2S2 and a molecular weight of 346.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
PubChem CID84585925
Molecular FormulaC14H19ClN2O2S2
Molecular Weight346.91 g/mol
Exact Mass346.06
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)c1ccc(Cl)s1)C(=O)N1CCSCC1
InChIInChI=1S/C14H19ClN2O2S2/c1-9(11-3-4-12(15)21-11)13(18)16-10(2)14(19)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyPQKHMGILUVULQN-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-fluorophenyl)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]propanamide
CID 97216869
2-(3-fluorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
CID 75373555
N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
(3S)-3-(4-chlorophenyl)-3-[2-(5-chlorothiophen-2-yl)propanoylamino]propanoic acid
CID 120531575
(E)-2-[2-(5-chlorothiophen-2-yl)propanoylamino]hex-4-enoic acid
CID 120693743
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119665756
1-[(5-chlorothiophen-2-yl)methyl]-1-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 51099427

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide (CID 84585925) is 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide is CC(NC(=O)C(C)c1ccc(Cl)s1)C(=O)N1CCSCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is PQKHMGILUVULQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S2/c1-9(11-3-4-12(15)21-11)13(18)16-10(2)14(19)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide?
2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 346.91 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 84585925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).