N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

C20H25N3OS — CID 3498003

IUPACN-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3OS/c24-18(11-25-19-22-16-3-1-2-4-17(16)23-19)21-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,24)(H,22,23)
InChIKeySEHZMNIJWHBNJT-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.99
Rot. Bonds5

About N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (PubChem CID 3498003) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
PubChem CID3498003
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3OS/c24-18(11-25-19-22-16-3-1-2-4-17(16)23-19)21-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,24)(H,22,23)
InChIKeySEHZMNIJWHBNJT-UHFFFAOYSA-N
XLogP3.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-adamantyloxy)ethyl]-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 7326937
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone
CID 7305609
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4520418
N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8981568
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
CID 680651
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
CID 113341185
N-(1-adamantylmethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4881545
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 39758056
N-(1-adamantylmethyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 611990
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (CID 3498003) is N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The InChIKey is SEHZMNIJWHBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-18(11-25-19-22-16-3-1-2-4-17(16)23-19)21-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,24)(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide has a molecular weight of 355.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 3498003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).