2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide

C11H16ClNO3S2 — CID 71859613

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
SMILESCC(C(=O)N(C)S(=O)(=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-7(2)18(15,16)13(4)11(14)8(3)9-5-6-10(12)17-9/h5-8H,1-4H3
InChIKeyNOZGCILGMGITEE-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.70
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide

2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide (PubChem CID 71859613) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
PubChem CID71859613
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
SMILESCC(C(=O)N(C)S(=O)(=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-7(2)18(15,16)13(4)11(14)8(3)9-5-6-10(12)17-9/h5-8H,1-4H3
InChIKeyNOZGCILGMGITEE-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 53611359
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 97221791
2-(5-Chlorothiophen-2-yl)-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 71854766
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47118827
3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 71859610
2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide
CID 71861113
2-(5-Chlorothiophen-2-YL)-N,N-dimethylpropanamide
CID 71924278
2-(5-Chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71924295
N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide
CID 71974845
N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide
CID 71974848
N-[2-(benzenesulfinyl)ethyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376919
N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide
CID 75384029

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide (CID 71859613) is 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide is CC(C(=O)N(C)S(=O)(=O)C(C)C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The InChIKey is NOZGCILGMGITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-7(2)18(15,16)13(4)11(14)8(3)9-5-6-10(12)17-9/h5-8H,1-4H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 71859613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).