N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide

C23H23N3O2S — CID 2984604

IUPACN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-3-25-20-12-10-18(14-21(20)26(4-2)23(25)28)24-22(27)15-29-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyNNYUFHQGQLKCBB-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.73
Rot. Bonds6

About N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide

N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2984604) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2984604
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-3-25-20-12-10-18(14-21(20)26(4-2)23(25)28)24-22(27)15-29-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyNNYUFHQGQLKCBB-UHFFFAOYSA-N
XLogP4.73
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100537338
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 3163187
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
2-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 21013395

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide (CID 2984604) is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide is CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is NNYUFHQGQLKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-3-25-20-12-10-18(14-21(20)26(4-2)23(25)28)24-22(27)15-29-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3,(H,24,27).
What are the key properties of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide?
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 405.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2984604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).