5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide

C13H12Cl2N2O2S2 — CID 3490004

IUPAC5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S2/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyJUMWHYLFLOXKGP-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.66
Rot. Bonds5

About 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide

5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide (PubChem CID 3490004) has the molecular formula C13H12Cl2N2O2S2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
PubChem CID3490004
Molecular FormulaC13H12Cl2N2O2S2
Molecular Weight363.29 g/mol
Exact Mass361.97
IUPAC Name5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S2/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyJUMWHYLFLOXKGP-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide (CID 3490004) is 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide is CC(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is JUMWHYLFLOXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S2/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 3490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).