3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide

C15H16ClNO3S2 — CID 4119959

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C15H16ClNO3S2/c16-13-4-1-3-12(9-13)11-22(19,20)8-6-15(18)17-10-14-5-2-7-21-14/h1-5,7,9H,6,8,10-11H2,(H,17,18)
InChIKeyROFMAKYGLBWWCV-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.02
Rot. Bonds7

About 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide

3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4119959) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4119959
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C15H16ClNO3S2/c16-13-4-1-3-12(9-13)11-22(19,20)8-6-15(18)17-10-14-5-2-7-21-14/h1-5,7,9H,6,8,10-11H2,(H,17,18)
InChIKeyROFMAKYGLBWWCV-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide (CID 4119959) is 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1cccs1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ROFMAKYGLBWWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c16-13-4-1-3-12(9-13)11-22(19,20)8-6-15(18)17-10-14-5-2-7-21-14/h1-5,7,9H,6,8,10-11H2,(H,17,18).
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide?
3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 357.88 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4119959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).