2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide

C18H20N4O3S — CID 510470

IUPAC2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(C(C(N)=O)c3ccccc3)cc21
InChIInChI=1S/C18H20N4O3S/c1-11(2)26(24,25)22-15-10-13(8-9-14(15)21-18(22)20)16(17(19)23)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,19,23)(H2,20,21)
InChIKeyNLRIVKKABTVMPG-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.82
Rot. Bonds5

About 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide

2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide (PubChem CID 510470) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
PubChem CID510470
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(C(C(N)=O)c3ccccc3)cc21
InChIInChI=1S/C18H20N4O3S/c1-11(2)26(24,25)22-15-10-13(8-9-14(15)21-18(22)20)16(17(19)23)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,19,23)(H2,20,21)
InChIKeyNLRIVKKABTVMPG-UHFFFAOYSA-N
XLogP1.82
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide (CID 510470) is 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(C(C(N)=O)c3ccccc3)cc21.
What is the InChIKey of 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide?
The InChIKey is NLRIVKKABTVMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(2)26(24,25)22-15-10-13(8-9-14(15)21-18(22)20)16(17(19)23)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,19,23)(H2,20,21).
What are the key properties of 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide?
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide has a molecular weight of 372.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 510470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).