2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide

C8H9Cl2NOS — CID 23548481

IUPAC2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NOS/c1-4(2)11-8(12)5-3-6(9)13-7(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeyRPPWTQKWRWAMPN-UHFFFAOYSA-N
MW238.14 g/mol
LogP3.19
Rot. Bonds2

About 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide

2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 23548481) has the molecular formula C8H9Cl2NOS and a molecular weight of 238.14 g/mol. Its IUPAC name is 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide
PubChem CID23548481
Molecular FormulaC8H9Cl2NOS
Molecular Weight238.14 g/mol
Exact Mass236.98
IUPAC Name2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NOS/c1-4(2)11-8(12)5-3-6(9)13-7(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeyRPPWTQKWRWAMPN-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide
CID 71863590
Ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
4-(2,5-Dichloro-3-thenoyl)-3-methyl-2-piperazinone
CID 44116488
4-(2,5-Dichlorothiophene-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863801
2-[4-(2,5-Dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 47078408
2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide
CID 51097659
2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 56531227
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865458
2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 86916755
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 107966454
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 120410010

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide (CID 23548481) is 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide is CC(C)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is RPPWTQKWRWAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NOS/c1-4(2)11-8(12)5-3-6(9)13-7(5)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide?
2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 238.14 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 23548481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).