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

C20H19ClN4O3S — CID 20949902

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O3S/c21-17-7-5-15(6-8-17)11-22-19(26)12-24-13-20(23-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-12H2,(H,22,26)
InChIKeySHJHDFCKXAAGFN-UHFFFAOYSA-N
MW430.92 g/mol
LogP2.60
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (PubChem CID 20949902) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
PubChem CID20949902
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O3S/c21-17-7-5-15(6-8-17)11-22-19(26)12-24-13-20(23-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-12H2,(H,22,26)
InChIKeySHJHDFCKXAAGFN-UHFFFAOYSA-N
XLogP2.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949899
2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20949888
N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949910
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
N-benzyl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949850
2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20949960
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
N-[(4-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654793
N-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947129
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (CID 20949902) is N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The InChIKey is SHJHDFCKXAAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-17-7-5-15(6-8-17)11-22-19(26)12-24-13-20(23-14-24)29(27,28)25-10-9-16-3-1-2-4-18(16)25/h1-8,13-14H,9-12H2,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide has a molecular weight of 430.92 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 20949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).