4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H26N2O3S — CID 9216707

IUPAC4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-15(2)23-27(25,26)18-13-11-17(12-14-18)21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-15,20,23H,3,6,8,10H2,1-2H3,(H,22,24)/t15-,20+/m1/s1
InChIKeySNUQBSKUWSIFSN-QRWLVFNGSA-N
MW386.52 g/mol
LogP3.57
Rot. Bonds6

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

4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 9216707) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID9216707
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-15(2)23-27(25,26)18-13-11-17(12-14-18)21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-15,20,23H,3,6,8,10H2,1-2H3,(H,22,24)/t15-,20+/m1/s1
InChIKeySNUQBSKUWSIFSN-QRWLVFNGSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide with MolForge

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Related Compounds

4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 9216707) is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is SNUQBSKUWSIFSN-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-15(2)23-27(25,26)18-13-11-17(12-14-18)21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-15,20,23H,3,6,8,10H2,1-2H3,(H,22,24)/t15-,20+/m1/s1.
What are the key properties of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 9216707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).