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

C19H24N2O2S — CID 34166719

IUPAC5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H24N2O2S/c1-12-7-6-8-14(9-12)11-20-17(22)16-13(2)10-15(24-16)21-18(23)19(3,4)5/h6-10H,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyKFEIOMKYOWXGMJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.28
Rot. Bonds4

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

5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 34166719) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID34166719
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H24N2O2S/c1-12-7-6-8-14(9-12)11-20-17(22)16-13(2)10-15(24-16)21-18(23)19(3,4)5/h6-10H,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyKFEIOMKYOWXGMJ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(4-nitrophenyl)methyl]thiophene-2-carboxamide
CID 55899499
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
CID 51291707
N-[(2,5-dimethoxyphenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 34866981
5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
CID 111485903
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 24676795
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 39696841
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[4-(N-methylanilino)butyl]thiophene-2-carboxamide
CID 60566245
5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
CID 111471133
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33229214
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86957961
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (CID 34166719) is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is Cc1cccc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is KFEIOMKYOWXGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-7-6-8-14(9-12)11-20-17(22)16-13(2)10-15(24-16)21-18(23)19(3,4)5/h6-10H,11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 34166719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).