5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide

C15H16Cl2N2OS — CID 42910726

IUPAC5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-19(2)12(10-5-3-4-6-11(10)16)9-18-15(20)13-7-8-14(17)21-13/h3-8,12H,9H2,1-2H3,(H,18,20)
InChIKeyVOCSSNYFVUIOAV-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.09
Rot. Bonds5

About 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 42910726) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
PubChem CID42910726
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-19(2)12(10-5-3-4-6-11(10)16)9-18-15(20)13-7-8-14(17)21-13/h3-8,12H,9H2,1-2H3,(H,18,20)
InChIKeyVOCSSNYFVUIOAV-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381
N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 42945538
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide (CID 42910726) is 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide is CN(C)C(CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is VOCSSNYFVUIOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-19(2)12(10-5-3-4-6-11(10)16)9-18-15(20)13-7-8-14(17)21-13/h3-8,12H,9H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 343.28 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42910726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).