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

C22H27N3O4S — CID 26371339

IUPACN-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H27N3O4S/c1-2-23-22(27)18-8-5-9-19(14-18)25-21(26)12-13-24-30(28,29)20-11-10-16-6-3-4-7-17(16)15-20/h5,8-11,14-15,24H,2-4,6-7,12-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyUZWNMAZSQGJHHC-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.62
Rot. Bonds8

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

N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide (PubChem CID 26371339) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
PubChem CID26371339
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H27N3O4S/c1-2-23-22(27)18-8-5-9-19(14-18)25-21(26)12-13-24-30(28,29)20-11-10-16-6-3-4-7-17(16)15-20/h5,8-11,14-15,24H,2-4,6-7,12-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyUZWNMAZSQGJHHC-UHFFFAOYSA-N
XLogP2.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
methyl 2-[[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoyl]amino]acetate
CID 55848349
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55711548
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9495362
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The IUPAC name of N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide (CID 26371339) is N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The canonical SMILES for N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide is CCNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The InChIKey is UZWNMAZSQGJHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-2-23-22(27)18-8-5-9-19(14-18)25-21(26)12-13-24-30(28,29)20-11-10-16-6-3-4-7-17(16)15-20/h5,8-11,14-15,24H,2-4,6-7,12-13H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide has a molecular weight of 429.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide is sourced from PubChem (CID 26371339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).