(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide

C25H24N2O3S — CID 91438962

IUPAC(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H24N2O3S/c1-17-13-14-24(23-12-5-4-10-21(17)23)31(29,30)27-20(16-25(26)28)15-19-9-6-8-18-7-2-3-11-22(18)19/h2-14,20,27H,15-16H2,1H3,(H2,26,28)/t20-/m1/s1
InChIKeyOUEPSUMSJGXMRO-HXUWFJFHSA-N
MW432.55 g/mol
LogP4.07
Rot. Bonds7

About (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide

(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide (PubChem CID 91438962) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide
PubChem CID91438962
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H24N2O3S/c1-17-13-14-24(23-12-5-4-10-21(17)23)31(29,30)27-20(16-25(26)28)15-19-9-6-8-18-7-2-3-11-22(18)19/h2-14,20,27H,15-16H2,1H3,(H2,26,28)/t20-/m1/s1
InChIKeyOUEPSUMSJGXMRO-HXUWFJFHSA-N
XLogP4.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
(2R)-2-(methylamino)-N-(4-methylnaphthalen-1-yl)sulfonylpropanamide
CID 166291932
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
CID 166000608
3-[[4-carbamoyl-2-(1-naphthalen-1-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxobutanoic acid
CID 22504147
(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3,3-diphenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide;sulfane
CID 160833351
N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91080810
N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 68700529
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea
CID 5385660
3-(iodoamino)-4-naphthalen-1-ylbutanoic acid
CID 166792226
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide?
The IUPAC name of (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide (CID 91438962) is (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide.
What is the SMILES notation for (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide?
The canonical SMILES for (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide?
The InChIKey is OUEPSUMSJGXMRO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-13-14-24(23-12-5-4-10-21(17)23)31(29,30)27-20(16-25(26)28)15-19-9-6-8-18-7-2-3-11-22(18)19/h2-14,20,27H,15-16H2,1H3,(H2,26,28)/t20-/m1/s1.
What are the key properties of (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide?
(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide has a molecular weight of 432.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide is sourced from PubChem (CID 91438962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).