N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide

C14H15ClN2OS — CID 46485504

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-7-8-12(19-9)14(18)16-11-6-4-5-10(15)13(11)17(2)3/h4-8H,1-3H3,(H,16,18)
InChIKeyZTGLDPPENRFUCE-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.03
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 46485504) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID46485504
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-7-8-12(19-9)14(18)16-11-6-4-5-10(15)13(11)17(2)3/h4-8H,1-3H3,(H,16,18)
InChIKeyZTGLDPPENRFUCE-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 60615646
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
CID 47249430
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide (CID 46485504) is N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)s1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ZTGLDPPENRFUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-7-8-12(19-9)14(18)16-11-6-4-5-10(15)13(11)17(2)3/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 46485504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).