4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H26N2O3S — CID 2450747

IUPAC4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)18-14-12-17(13-15-18)21(24)22-20-11-7-9-16-8-5-6-10-19(16)20/h5-6,8,10,12-15,20H,3-4,7,9,11H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyFVSPPGULPBBYFD-FQEVSTJZSA-N
MW386.52 g/mol
LogP3.52
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2450747) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2450747
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)18-14-12-17(13-15-18)21(24)22-20-11-7-9-16-8-5-6-10-19(16)20/h5-6,8,10,12-15,20H,3-4,7,9,11H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyFVSPPGULPBBYFD-FQEVSTJZSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873676
4-[methyl-[3-(prop-2-enoylamino)propyl]sulfamoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89239167
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55373450
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 53279937

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2450747) is 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is FVSPPGULPBBYFD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)18-14-12-17(13-15-18)21(24)22-20-11-7-9-16-8-5-6-10-19(16)20/h5-6,8,10,12-15,20H,3-4,7,9,11H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2450747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).