5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C15H22N4O2S2 — CID 133395402

IUPAC5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(NCCNS(=O)(=O)c2ccc(C)s2)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O2S2/c1-10(2)15-18-11(3)9-13(19-15)16-7-8-17-23(20,21)14-6-5-12(4)22-14/h5-6,9-10,17H,7-8H2,1-4H3,(H,16,18,19)
InChIKeyHUNARPYFZAMPSN-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.67
Rot. Bonds7

About 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133395402) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133395402
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(NCCNS(=O)(=O)c2ccc(C)s2)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O2S2/c1-10(2)15-18-11(3)9-13(19-15)16-7-8-17-23(20,21)14-6-5-12(4)22-14/h5-6,9-10,17H,7-8H2,1-4H3,(H,16,18,19)
InChIKeyHUNARPYFZAMPSN-UHFFFAOYSA-N
XLogP2.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133395402) is 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1cc(NCCNS(=O)(=O)c2ccc(C)s2)nc(C(C)C)n1.
What is the InChIKey of 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is HUNARPYFZAMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-10(2)15-18-11(3)9-13(19-15)16-7-8-17-23(20,21)14-6-5-12(4)22-14/h5-6,9-10,17H,7-8H2,1-4H3,(H,16,18,19).
What are the key properties of 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133395402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).