N-(5-chloro-4-methylthiophen-2-yl)propanamide

C8H10ClNOS — CID 90764322

IUPACN-(5-chloro-4-methylthiophen-2-yl)propanamide
SMILESCCC(=O)Nc1cc(C)c(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-3-6(11)10-7-4-5(2)8(9)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyPOHRDBJFSHEJPH-UHFFFAOYSA-N
MW203.69 g/mol
LogP3.06
Rot. Bonds2

About N-(5-chloro-4-methylthiophen-2-yl)propanamide

N-(5-chloro-4-methylthiophen-2-yl)propanamide (PubChem CID 90764322) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is N-(5-chloro-4-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylthiophen-2-yl)propanamide
PubChem CID90764322
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC NameN-(5-chloro-4-methylthiophen-2-yl)propanamide
SMILESCCC(=O)Nc1cc(C)c(Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-3-6(11)10-7-4-5(2)8(9)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyPOHRDBJFSHEJPH-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylthiophen-2-yl)propanamide?
The IUPAC name of N-(5-chloro-4-methylthiophen-2-yl)propanamide (CID 90764322) is N-(5-chloro-4-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-4-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-4-methylthiophen-2-yl)propanamide is CCC(=O)Nc1cc(C)c(Cl)s1.
What is the InChIKey of N-(5-chloro-4-methylthiophen-2-yl)propanamide?
The InChIKey is POHRDBJFSHEJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-3-6(11)10-7-4-5(2)8(9)12-7/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(5-chloro-4-methylthiophen-2-yl)propanamide?
N-(5-chloro-4-methylthiophen-2-yl)propanamide has a molecular weight of 203.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 90764322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).