N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide

C11H15N3O2S2 — CID 64517854

IUPACN-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ncc[nH]2)c(C)s1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-10(9(2)17-8)18(15,16)14(3)7-11-12-4-5-13-11/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyKHIAKEAICOAHLD-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.91
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide (PubChem CID 64517854) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
PubChem CID64517854
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ncc[nH]2)c(C)s1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-10(9(2)17-8)18(15,16)14(3)7-11-12-4-5-13-11/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyKHIAKEAICOAHLD-UHFFFAOYSA-N
XLogP1.91
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide (CID 64517854) is N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ncc[nH]2)c(C)s1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The InChIKey is KHIAKEAICOAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-6-10(9(2)17-8)18(15,16)14(3)7-11-12-4-5-13-11/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide is sourced from PubChem (CID 64517854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).