3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide

C16H21N3OS — CID 103418162

IUPAC3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCc1cccc(CN(C)c2cc(N)c(C(=O)N(C)C)s2)c1
InChIInChI=1S/C16H21N3OS/c1-11-6-5-7-12(8-11)10-19(4)14-9-13(17)15(21-14)16(20)18(2)3/h5-9H,10,17H2,1-4H3
InChIKeyMHYGFEVVLCQDQS-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide

3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide (PubChem CID 103418162) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
PubChem CID103418162
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCc1cccc(CN(C)c2cc(N)c(C(=O)N(C)C)s2)c1
InChIInChI=1S/C16H21N3OS/c1-11-6-5-7-12(8-11)10-19(4)14-9-13(17)15(21-14)16(20)18(2)3/h5-9H,10,17H2,1-4H3
InChIKeyMHYGFEVVLCQDQS-UHFFFAOYSA-N
XLogP2.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
CID 103526615
methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
CID 115934261
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103418163
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide (CID 103418162) is 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide is Cc1cccc(CN(C)c2cc(N)c(C(=O)N(C)C)s2)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The InChIKey is MHYGFEVVLCQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-6-5-7-12(8-11)10-19(4)14-9-13(17)15(21-14)16(20)18(2)3/h5-9H,10,17H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 103418162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).