N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide

C18H22N2O2S — CID 51256105

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-5-7-13(8-6-12)14-9-10-23-16(14)17(22)19-11-15(21)20-18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKPYZEZFZCHXIKN-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.37
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 51256105) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID51256105
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-5-7-13(8-6-12)14-9-10-23-16(14)17(22)19-11-15(21)20-18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKPYZEZFZCHXIKN-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 51256105) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KPYZEZFZCHXIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-5-7-13(8-6-12)14-9-10-23-16(14)17(22)19-11-15(21)20-18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 51256105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).