4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide

C20H23N3O4S — CID 9441800

IUPAC4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23N3O4S/c21-20(25)15-5-8-17(9-6-15)23-19(24)11-12-22-28(26,27)18-10-7-14-3-1-2-4-16(14)13-18/h5-10,13,22H,1-4,11-12H2,(H2,21,25)(H,23,24)
InChIKeyBGWNNBYYCUVYOK-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.97
Rot. Bonds7

About 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide

4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide (PubChem CID 9441800) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
PubChem CID9441800
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23N3O4S/c21-20(25)15-5-8-17(9-6-15)23-19(24)11-12-22-28(26,27)18-10-7-14-3-1-2-4-16(14)13-18/h5-10,13,22H,1-4,11-12H2,(H2,21,25)(H,23,24)
InChIKeyBGWNNBYYCUVYOK-UHFFFAOYSA-N
XLogP1.97
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55540409
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112999633
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55885066
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9495362
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24610754
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55711548

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The IUPAC name of 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide (CID 9441800) is 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The InChIKey is BGWNNBYYCUVYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c21-20(25)15-5-8-17(9-6-15)23-19(24)11-12-22-28(26,27)18-10-7-14-3-1-2-4-16(14)13-18/h5-10,13,22H,1-4,11-12H2,(H2,21,25)(H,23,24).
What are the key properties of 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide is sourced from PubChem (CID 9441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).