2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C22H21N3OS2 — CID 40673730

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21
InChIInChI=1S/C22H21N3OS2/c1-2-25-18-12-7-6-11-17(18)23-22(25)28-15-20(26)24-21(19-13-8-14-27-19)16-9-4-3-5-10-16/h3-14,21H,2,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUKZFEOUTZUHBDC-NRFANRHFSA-N
MW407.56 g/mol
LogP5.12
Rot. Bonds7

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 40673730) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID40673730
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21
InChIInChI=1S/C22H21N3OS2/c1-2-25-18-12-7-6-11-17(18)23-22(25)28-15-20(26)24-21(19-13-8-14-27-19)16-9-4-3-5-10-16/h3-14,21H,2,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUKZFEOUTZUHBDC-NRFANRHFSA-N
XLogP5.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide
CID 5110690
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231124
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231123

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 40673730) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is UKZFEOUTZUHBDC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-2-25-18-12-7-6-11-17(18)23-22(25)28-15-20(26)24-21(19-13-8-14-27-19)16-9-4-3-5-10-16/h3-14,21H,2,15H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 40673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).