3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide

C11H15Cl2NOS — CID 103406198

IUPAC3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
SMILESCCC(Cl)CCNC(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-8(12)4-5-14-11(15)10-9(13)7(2)6-16-10/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyAUQRHDJKTGFATH-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.85
Rot. Bonds5

About 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide (PubChem CID 103406198) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
PubChem CID103406198
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
SMILESCCC(Cl)CCNC(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-8(12)4-5-14-11(15)10-9(13)7(2)6-16-10/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyAUQRHDJKTGFATH-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Silthiofam-des(trimethylsilyl)
CID 84557985
N-Benzyl-3-chloro-2-thiophenecarboxamide
CID 24212759
3-Chloro-N-isopropyl-2-thiophenecarboxamide
CID 24212757
3-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-N-propylthiophene-2-carboxamide
CID 126805989
1-[1-(3-Chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-3-methylurea
CID 137997367
3-chloro-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 89833813
3-fluoro-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 89833826
3-chloro-N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 117914770
N-(2-fluoroethyl)-5-methylthiophene-3-carboxamide
CID 130731347
N-(2-fluoroethyl)-4-methylthiophene-2-carboxamide
CID 130750288
N-[(5-acetylthiophen-3-yl)methyl]-2-chloroacetamide
CID 827559
N-(2,2-difluoroethyl)-3-iodo-4-methylthiophene-2-carboxamide
CID 99825038

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide (CID 103406198) is 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide is CCC(Cl)CCNC(=O)c1scc(C)c1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide?
The InChIKey is AUQRHDJKTGFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-3-8(12)4-5-14-11(15)10-9(13)7(2)6-16-10/h6,8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide has a molecular weight of 280.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103406198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).