N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide

C14H16N2O3S2 — CID 39206218

IUPACN-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CCc2ccsc2)c1
InChIInChI=1S/C14H16N2O3S2/c1-21(18,19)16-13-4-2-3-12(9-13)15-14(17)6-5-11-7-8-20-10-11/h2-4,7-10,16H,5-6H2,1H3,(H,15,17)
InChIKeyBZMHELMFHSHVJF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide

N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide (PubChem CID 39206218) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
PubChem CID39206218
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CCc2ccsc2)c1
InChIInChI=1S/C14H16N2O3S2/c1-21(18,19)16-13-4-2-3-12(9-13)15-14(17)6-5-11-7-8-20-10-11/h2-4,7-10,16H,5-6H2,1H3,(H,15,17)
InChIKeyBZMHELMFHSHVJF-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 35365510
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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide (CID 39206218) is N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide is CS(=O)(=O)Nc1cccc(NC(=O)CCc2ccsc2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is BZMHELMFHSHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-21(18,19)16-13-4-2-3-12(9-13)15-14(17)6-5-11-7-8-20-10-11/h2-4,7-10,16H,5-6H2,1H3,(H,15,17).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide?
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 324.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39206218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).