N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide

C16H19NO3S2 — CID 110790640

IUPACN-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)CCc2cccs2)cc1
InChIInChI=1S/C16H19NO3S2/c1-22(19,20)15-7-4-13(5-8-15)10-11-17-16(18)9-6-14-3-2-12-21-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,18)
InChIKeyTVKVZCDKZKMTAI-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110790640) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110790640
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)CCc2cccs2)cc1
InChIInChI=1S/C16H19NO3S2/c1-22(19,20)15-7-4-13(5-8-15)10-11-17-16(18)9-6-14-3-2-12-21-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,18)
InChIKeyTVKVZCDKZKMTAI-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111614585
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349710
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 110790640) is N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide is CS(=O)(=O)c1ccc(CCNC(=O)CCc2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is TVKVZCDKZKMTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-22(19,20)15-7-4-13(5-8-15)10-11-17-16(18)9-6-14-3-2-12-21-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110790640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).