N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide

C17H25NO3S2 — CID 90624207

IUPACN-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C)s2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO3S2/c1-11-3-4-16(22-11)23(19,20)18-10-17(21-2)14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,18H,5-10H2,1-2H3
InChIKeyNNCQTDTZPUIBSZ-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.18
Rot. Bonds5

About N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 90624207) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID90624207
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C)s2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO3S2/c1-11-3-4-16(22-11)23(19,20)18-10-17(21-2)14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,18H,5-10H2,1-2H3
InChIKeyNNCQTDTZPUIBSZ-UHFFFAOYSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide (CID 90624207) is N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide is COC1(CNS(=O)(=O)c2ccc(C)s2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is NNCQTDTZPUIBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2/c1-11-3-4-16(22-11)23(19,20)18-10-17(21-2)14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,18H,5-10H2,1-2H3.
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 355.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 90624207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).