3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C27H30N2O3S — CID 28556831

IUPAC3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-6,8-10,12,14-15,17-18,20,26,29H,7,11,13,16,19H2,1H3,(H,28,30)/t20-,26+/m1/s1
InChIKeyKVLOCBSJUZAKJJ-IBVKSMDESA-N
MW462.62 g/mol
LogP4.85
Rot. Bonds8

About 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 28556831) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID28556831
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-6,8-10,12,14-15,17-18,20,26,29H,7,11,13,16,19H2,1H3,(H,28,30)/t20-,26+/m1/s1
InChIKeyKVLOCBSJUZAKJJ-IBVKSMDESA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28556838
2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873202
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43876941
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 28556831) is 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is KVLOCBSJUZAKJJ-IBVKSMDESA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-6,8-10,12,14-15,17-18,20,26,29H,7,11,13,16,19H2,1H3,(H,28,30)/t20-,26+/m1/s1.
What are the key properties of 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 462.62 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 28556831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).