N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C22H26N4O3S — CID 55436294

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c1-15(22-25-19-8-4-5-9-20(19)26-22)24-21(27)12-13-23-30(28,29)18-11-10-16-6-2-3-7-17(16)14-18/h4-5,8-11,14-15,23H,2-3,6-7,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyYXQRXYUAIYXGAT-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.99
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55436294) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID55436294
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c1-15(22-25-19-8-4-5-9-20(19)26-22)24-21(27)12-13-23-30(28,29)18-11-10-16-6-2-3-7-17(16)14-18/h4-5,8-11,14-15,23H,2-3,6-7,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyYXQRXYUAIYXGAT-UHFFFAOYSA-N
XLogP2.99
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 25356175
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 18116342
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18116434
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 18116527
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24575388
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86886275
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 35984118
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 55471877

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 55436294) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is YXQRXYUAIYXGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15(22-25-19-8-4-5-9-20(19)26-22)24-21(27)12-13-23-30(28,29)18-11-10-16-6-2-3-7-17(16)14-18/h4-5,8-11,14-15,23H,2-3,6-7,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 426.54 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55436294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).