(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C23H27N3O5S2 — CID 41312555

IUPAC(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H27N3O5S2/c1-16(2)22(23(27)25-14-13-17-7-10-20(11-8-17)32(24,28)29)26-33(30,31)21-12-9-18-5-3-4-6-19(18)15-21/h3-12,15-16,22,26H,13-14H2,1-2H3,(H,25,27)(H2,24,28,29)/t22-/m1/s1
InChIKeyQSIHPWIMWALPDP-JOCHJYFZSA-N
MW489.62 g/mol
LogP2.15
Rot. Bonds9

About (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 41312555) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID41312555
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H27N3O5S2/c1-16(2)22(23(27)25-14-13-17-7-10-20(11-8-17)32(24,28)29)26-33(30,31)21-12-9-18-5-3-4-6-19(18)15-21/h3-12,15-16,22,26H,13-14H2,1-2H3,(H,25,27)(H2,24,28,29)/t22-/m1/s1
InChIKeyQSIHPWIMWALPDP-JOCHJYFZSA-N
XLogP2.15
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 41312555) is (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is QSIHPWIMWALPDP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-16(2)22(23(27)25-14-13-17-7-10-20(11-8-17)32(24,28)29)26-33(30,31)21-12-9-18-5-3-4-6-19(18)15-21/h3-12,15-16,22,26H,13-14H2,1-2H3,(H,25,27)(H2,24,28,29)/t22-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 489.62 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 41312555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).