N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide

C11H15Cl2NOS — CID 86910308

IUPACN-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-5-6-14(4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3
InChIKeyUVLBZUIHYUKDMC-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.32
Rot. Bonds5

About N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide

N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide (PubChem CID 86910308) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide
PubChem CID86910308
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC NameN-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-5-6-14(4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3
InChIKeyUVLBZUIHYUKDMC-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 75457383
2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 56531227
(2,5-Dichlorothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60357312
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865458
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857559
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 107966454
N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 107966457

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide?
The IUPAC name of N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide (CID 86910308) is N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide?
The canonical SMILES for N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide is CCCCN(CC)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide?
The InChIKey is UVLBZUIHYUKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-3-5-6-14(4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide?
N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide has a molecular weight of 280.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 86910308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).