3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide

C11H16ClNO3S2 — CID 71859610

IUPAC3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-8(2)18(15,16)13(3)11(14)7-5-9-4-6-10(12)17-9/h4,6,8H,5,7H2,1-3H3
InChIKeySMKLSFGMLYBFDW-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.53
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide

3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide (PubChem CID 71859610) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
PubChem CID71859610
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-8(2)18(15,16)13(3)11(14)7-5-9-4-6-10(12)17-9/h4,6,8H,5,7H2,1-3H3
InChIKeySMKLSFGMLYBFDW-UHFFFAOYSA-N
XLogP2.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide (CID 71859610) is 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)N(C)C(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
The InChIKey is SMKLSFGMLYBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-8(2)18(15,16)13(3)11(14)7-5-9-4-6-10(12)17-9/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide?
3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 71859610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).