N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C17H15F3N4O3S — CID 112791038

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)11-4-3-5-12(8-11)28(26,27)22-10-16(25)21-9-15-23-13-6-1-2-7-14(13)24-15/h1-8,22H,9-10H2,(H,21,25)(H,23,24)
InChIKeyFVUGDVBNVFHKBE-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.18
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 112791038) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID112791038
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)11-4-3-5-12(8-11)28(26,27)22-10-16(25)21-9-15-23-13-6-1-2-7-14(13)24-15/h1-8,22H,9-10H2,(H,21,25)(H,23,24)
InChIKeyFVUGDVBNVFHKBE-UHFFFAOYSA-N
XLogP2.18
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548582
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 146024065
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55520288
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548477
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545917
N-[2-(2,6-difluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56549006
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 112791038) is N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is FVUGDVBNVFHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c18-17(19,20)11-4-3-5-12(8-11)28(26,27)22-10-16(25)21-9-15-23-13-6-1-2-7-14(13)24-15/h1-8,22H,9-10H2,(H,21,25)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 412.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 112791038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).