N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide

C26H27N3O2S — CID 26888965

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O2S/c1-4-18(2)19-9-11-20(12-10-19)27-25(30)17-32-26-28-23-7-5-6-8-24(23)29(26)21-13-15-22(31-3)16-14-21/h5-16,18H,4,17H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyHBHBTHSSEDOXMI-SFHVURJKSA-N
MW445.59 g/mol
LogP6.28
Rot. Bonds8

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 26888965) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID26888965
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O2S/c1-4-18(2)19-9-11-20(12-10-19)27-25(30)17-32-26-28-23-7-5-6-8-24(23)29(26)21-13-15-22(31-3)16-14-21/h5-16,18H,4,17H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyHBHBTHSSEDOXMI-SFHVURJKSA-N
XLogP6.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3821542
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26931379
N-[4-[(2R)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1207643
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4544233
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide (CID 26888965) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide is CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is HBHBTHSSEDOXMI-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-4-18(2)19-9-11-20(12-10-19)27-25(30)17-32-26-28-23-7-5-6-8-24(23)29(26)21-13-15-22(31-3)16-14-21/h5-16,18H,4,17H2,1-3H3,(H,27,30)/t18-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 445.59 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 26888965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).