3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide

C16H21N3OS — CID 106901131

IUPAC3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C16H21N3OS/c1-4-11-5-7-12(8-6-11)10-18-14-9-13(17)15(21-14)16(20)19(2)3/h5-9,18H,4,10,17H2,1-3H3
InChIKeyHSEYQNZEWCSOCD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds5

About 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide

3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 106901131) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
PubChem CID106901131
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C16H21N3OS/c1-4-11-5-7-12(8-6-11)10-18-14-9-13(17)15(21-14)16(20)19(2)3/h5-9,18H,4,10,17H2,1-3H3
InChIKeyHSEYQNZEWCSOCD-UHFFFAOYSA-N
XLogP3.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103526272
3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507392
3-amino-N,N-dimethyl-5-(2-piperidin-1-ylethylamino)thiophene-2-carboxamide
CID 103508614
3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
CID 103417381
[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103422919
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106413075
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526087
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide (CID 106901131) is 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide is CCc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cc1.
What is the InChIKey of 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is HSEYQNZEWCSOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-11-5-7-12(8-6-11)10-18-14-9-13(17)15(21-14)16(20)19(2)3/h5-9,18H,4,10,17H2,1-3H3.
What are the key properties of 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 106901131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).