N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide

C22H23NO3S — CID 55757507

IUPACN-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3S/c1-15(2)27(25,26)19-13-11-18(12-14-19)22(24)23-16(3)20-10-6-8-17-7-4-5-9-21(17)20/h4-16H,1-3H3,(H,23,24)
InChIKeyNMBYJOAPIMFULV-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.51
Rot. Bonds5

About N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide

N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 55757507) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID55757507
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3S/c1-15(2)27(25,26)19-13-11-18(12-14-19)22(24)23-16(3)20-10-6-8-17-7-4-5-9-21(17)20/h4-16H,1-3H3,(H,23,24)
InChIKeyNMBYJOAPIMFULV-UHFFFAOYSA-N
XLogP4.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24636391
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide (CID 55757507) is N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide is CC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is NMBYJOAPIMFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-15(2)27(25,26)19-13-11-18(12-14-19)22(24)23-16(3)20-10-6-8-17-7-4-5-9-21(17)20/h4-16H,1-3H3,(H,23,24).
What are the key properties of N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide?
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55757507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).