3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide

C10H14ClNO3S2 — CID 60545455

IUPAC3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-17(14,15)7-6-12-10(13)5-3-8-2-4-9(11)16-8/h2,4H,3,5-7H2,1H3,(H,12,13)
InChIKeyFTWCHNPBOORZKM-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.49
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide

3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide (PubChem CID 60545455) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
PubChem CID60545455
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-17(14,15)7-6-12-10(13)5-3-8-2-4-9(11)16-8/h2,4H,3,5-7H2,1H3,(H,12,13)
InChIKeyFTWCHNPBOORZKM-UHFFFAOYSA-N
XLogP1.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
3-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 87000667
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
3-(5-chlorothiophen-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 78886193
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 95632333

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide (CID 60545455) is 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide is CS(=O)(=O)CCNC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is FTWCHNPBOORZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-17(14,15)7-6-12-10(13)5-3-8-2-4-9(11)16-8/h2,4H,3,5-7H2,1H3,(H,12,13).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 60545455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).