2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide

C14H15ClN2OS — CID 98646581

IUPAC2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide
SMILESCc1cc(-c2csc(N)c2C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-8-6-9(4-5-11(8)15)10-7-19-13(16)12(10)14(18)17(2)3/h4-7H,16H2,1-3H3
InChIKeySNXYSJCXWAVKKV-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.66
Rot. Bonds2

About 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide

2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide (PubChem CID 98646581) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide
PubChem CID98646581
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide
SMILESCc1cc(-c2csc(N)c2C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-8-6-9(4-5-11(8)15)10-7-19-13(16)12(10)14(18)17(2)3/h4-7H,16H2,1-3H3
InChIKeySNXYSJCXWAVKKV-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43174821
2-amino-N,N-dimethyl-4-thiophen-2-ylthiophene-3-carboxamide
CID 82056963
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 74888630
2-amino-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 159705168
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
ethyl 2-amino-4-(4-chloro-3-methylphenyl)-5-methylthiophene-3-carboxylate
CID 39079141
methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265551

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide (CID 98646581) is 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide is Cc1cc(-c2csc(N)c2C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is SNXYSJCXWAVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-6-9(4-5-11(8)15)10-7-19-13(16)12(10)14(18)17(2)3/h4-7H,16H2,1-3H3.
What are the key properties of 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide?
2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 98646581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).