N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide

C20H17N5O3S — CID 24790995

IUPACN-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C20H17N5O3S/c21-11-15-5-7-17(8-6-15)23-19(26)12-24-13-20(22-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-10,12H2,(H,23,26)
InChIKeyODAUAUJONMEZCO-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.14
Rot. Bonds5

About N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide

N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (PubChem CID 24790995) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
PubChem CID24790995
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C20H17N5O3S/c21-11-15-5-7-17(8-6-15)23-19(26)12-24-13-20(22-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-10,12H2,(H,23,26)
InChIKeyODAUAUJONMEZCO-UHFFFAOYSA-N
XLogP2.14
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (CID 24790995) is N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is N#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The InChIKey is ODAUAUJONMEZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c21-11-15-5-7-17(8-6-15)23-19(26)12-24-13-20(22-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-10,12H2,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide has a molecular weight of 407.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 24790995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).