5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide

C16H20N4O2S — CID 71936648

IUPAC5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1
InChIInChI=1S/C16H20N4O2S/c1-10(21)17-9-12-5-6-13(23-12)14(22)20-11-7-18-15(19-8-11)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,21)(H,20,22)
InChIKeyNMYRPIJXNRGTSI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.72
Rot. Bonds4

About 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide

5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 71936648) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID71936648
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1
InChIInChI=1S/C16H20N4O2S/c1-10(21)17-9-12-5-6-13(23-12)14(22)20-11-7-18-15(19-8-11)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,21)(H,20,22)
InChIKeyNMYRPIJXNRGTSI-UHFFFAOYSA-N
XLogP2.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide (CID 71936648) is 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is NMYRPIJXNRGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(21)17-9-12-5-6-13(23-12)14(22)20-11-7-18-15(19-8-11)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,21)(H,20,22).
What are the key properties of 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide?
5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71936648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).