N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide

C15H25NO3S — CID 94197095

IUPACN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H25NO3S/c1-5-6-11-20(17,18)16-15(12(2)3)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyFDZNWEYKJQAESV-OAHLLOKOSA-N
MW299.44 g/mol
LogP3.11
Rot. Bonds8

About N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide

N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide (PubChem CID 94197095) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
PubChem CID94197095
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H25NO3S/c1-5-6-11-20(17,18)16-15(12(2)3)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyFDZNWEYKJQAESV-OAHLLOKOSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
CID 97307677
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
CID 94499205
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
(2R)-N-butylsulfonyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 94190179
N-butylsulfonyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47052138
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
1-butylsulfonyl-4-methoxybenzene
CID 12696371

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide (CID 94197095) is N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](c1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide?
The InChIKey is FDZNWEYKJQAESV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-6-11-20(17,18)16-15(12(2)3)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide?
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide is sourced from PubChem (CID 94197095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).