N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide

C23H26N4O2S — CID 16518058

IUPACN-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESC=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C23H26N4O2S/c1-4-13-27-20-12-8-7-11-19(20)26-23(27)30-15-21(28)25-18-10-6-5-9-17(18)22(29)24-14-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,24,29)(H,25,28)
InChIKeyQIJGJWOKNHEZKC-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.34
Rot. Bonds9

About N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide

N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 16518058) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID16518058
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESC=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C23H26N4O2S/c1-4-13-27-20-12-8-7-11-19(20)26-23(27)30-15-21(28)25-18-10-6-5-9-17(18)22(29)24-14-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,24,29)(H,25,28)
InChIKeyQIJGJWOKNHEZKC-UHFFFAOYSA-N
XLogP4.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518061
N-[(1S)-1-phenylethyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251190
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518005
N-(2-chloro-4-methylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251170
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-prop-2-ynylacetamide
CID 40668415
N-(methylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 4828262
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-(4-bromo-2-fluorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518035
N-(2,5-dimethylpyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 51287626
N-(2-methyl-4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16958647
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide (CID 16518058) is N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide is C=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)nc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is QIJGJWOKNHEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-4-13-27-20-12-8-7-11-19(20)26-23(27)30-15-21(28)25-18-10-6-5-9-17(18)22(29)24-14-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,24,29)(H,25,28).
What are the key properties of N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 16518058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).