N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide

C19H31N3O3S — CID 35363066

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C19H31N3O3S/c1-9-22(11-13(23)21-19(6,7)8)16(24)15-12(2)10-14(26-15)20-17(25)18(3,4)5/h10H,9,11H2,1-8H3,(H,20,25)(H,21,23)
InChIKeyMTOCTQUGYYDYRI-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 35363066) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID35363066
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C19H31N3O3S/c1-9-22(11-13(23)21-19(6,7)8)16(24)15-12(2)10-14(26-15)20-17(25)18(3,4)5/h10H,9,11H2,1-8H3,(H,20,25)(H,21,23)
InChIKeyMTOCTQUGYYDYRI-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide (CID 35363066) is N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is MTOCTQUGYYDYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-9-22(11-13(23)21-19(6,7)8)16(24)15-12(2)10-14(26-15)20-17(25)18(3,4)5/h10H,9,11H2,1-8H3,(H,20,25)(H,21,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 35363066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).