N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide

C15H22N4O2S2 — CID 133395387

IUPACN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C15H22N4O2S2/c1-11-5-6-13(22-11)23(20,21)18-10-9-16-12-7-8-17-14(19-12)15(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,16,17,19)
InChIKeyVKTRQJQHRCUJDW-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 133395387) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID133395387
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C15H22N4O2S2/c1-11-5-6-13(22-11)23(20,21)18-10-9-16-12-7-8-17-14(19-12)15(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,16,17,19)
InChIKeyVKTRQJQHRCUJDW-UHFFFAOYSA-N
XLogP2.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.53
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 N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide (CID 133395387) is N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCNc2ccnc(C(C)(C)C)n2)s1.
What is the InChIKey of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is VKTRQJQHRCUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-11-5-6-13(22-11)23(20,21)18-10-9-16-12-7-8-17-14(19-12)15(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,16,17,19).
What are the key properties of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 133395387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).