N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide

C15H22N4OS — CID 119522351

IUPACN-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)NC(C)(C)CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N4OS/c1-10(21-8-13(20)19-15(2,3)9-16)14-17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWCQKLFHZDGOTQV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.21
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide

N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide (PubChem CID 119522351) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
PubChem CID119522351
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)NC(C)(C)CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N4OS/c1-10(21-8-13(20)19-15(2,3)9-16)14-17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWCQKLFHZDGOTQV-UHFFFAOYSA-N
XLogP2.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
N-[2-(aminomethyl)cyclohexyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119610093
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-ethylacetamide
CID 78815916
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51923975
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3-bromophenyl)acetamide
CID 8713855
4-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]butanoic acid
CID 119352431
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide;hydrochloride
CID 119525884
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 8714374
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111560551
N-(2-adamantyl)-2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetamide
CID 25350346
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 112794659

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide (CID 119522351) is N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide is CC(SCC(=O)NC(C)(C)CN)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide?
The InChIKey is WCQKLFHZDGOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(21-8-13(20)19-15(2,3)9-16)14-17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 119522351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).