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

C20H22N4O3S — CID 35984118

IUPACN-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nn1cnc2ccccc21
InChIInChI=1S/C20H22N4O3S/c25-20(23-24-14-21-18-7-3-4-8-19(18)24)11-12-22-28(26,27)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-10,13-14,22H,1-2,5-6,11-12H2,(H,23,25)
InChIKeyRYLDTVQHNVWMJY-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.35
Rot. Bonds6

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

N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 35984118) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID35984118
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nn1cnc2ccccc21
InChIInChI=1S/C20H22N4O3S/c25-20(23-24-14-21-18-7-3-4-8-19(18)24)11-12-22-28(26,27)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-10,13-14,22H,1-2,5-6,11-12H2,(H,23,25)
InChIKeyRYLDTVQHNVWMJY-UHFFFAOYSA-N
XLogP2.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119567689
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55975923
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55436294
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24554510
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 35984118) is N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is RYLDTVQHNVWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(23-24-14-21-18-7-3-4-8-19(18)24)11-12-22-28(26,27)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-10,13-14,22H,1-2,5-6,11-12H2,(H,23,25).
What are the key properties of N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 35984118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).