4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

C18H19ClN2O4S2 — CID 17427305

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O4S2/c19-17-8-7-16(26-17)15(22)6-9-18(23)20-13-4-3-5-14(12-13)27(24,25)21-10-1-2-11-21/h3-5,7-8,12H,1-2,6,9-11H2,(H,20,23)
InChIKeyOQVACUXQQLIERZ-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.79
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 17427305) has the molecular formula C18H19ClN2O4S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID17427305
Molecular FormulaC18H19ClN2O4S2
Molecular Weight426.95 g/mol
Exact Mass426.05
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O4S2/c19-17-8-7-16(26-17)15(22)6-9-18(23)20-13-4-3-5-14(12-13)27(24,25)21-10-1-2-11-21/h3-5,7-8,12H,1-2,6,9-11H2,(H,20,23)
InChIKeyOQVACUXQQLIERZ-UHFFFAOYSA-N
XLogP3.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
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CID 24554825
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
4-(2,5-dimethylphenyl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9415015
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
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4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
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2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 17427305) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is OQVACUXQQLIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S2/c19-17-8-7-16(26-17)15(22)6-9-18(23)20-13-4-3-5-14(12-13)27(24,25)21-10-1-2-11-21/h3-5,7-8,12H,1-2,6,9-11H2,(H,20,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 426.95 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 17427305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).