5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid

C17H20N2O3S — CID 72854905

IUPAC5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1C(C(=O)NCc1ccc(C(=O)O)s1)N(C)C
InChIInChI=1S/C17H20N2O3S/c1-11-6-4-5-7-13(11)15(19(2)3)16(20)18-10-12-8-9-14(23-12)17(21)22/h4-9,15H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyNSGJBYCTZIZBHG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.67
Rot. Bonds6

About 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 72854905) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID72854905
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1C(C(=O)NCc1ccc(C(=O)O)s1)N(C)C
InChIInChI=1S/C17H20N2O3S/c1-11-6-4-5-7-13(11)15(19(2)3)16(20)18-10-12-8-9-14(23-12)17(21)22/h4-9,15H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyNSGJBYCTZIZBHG-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110986
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CID 72917770
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]-N-methylfuran-2-carboxamide
CID 72932314
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
5-[[(2-ethoxy-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110496
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 72859862
5-[[(2-methyl-4-phenoxybutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110538
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136804341

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid (CID 72854905) is 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid is Cc1ccccc1C(C(=O)NCc1ccc(C(=O)O)s1)N(C)C.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is NSGJBYCTZIZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-6-4-5-7-13(11)15(19(2)3)16(20)18-10-12-8-9-14(23-12)17(21)22/h4-9,15H,10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 72854905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).