4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 100570121

IUPAC4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)12(5)16-20(17,18)13-7-8-15(19-6)14(9-13)11(3)4/h7-12,16H,1-6H3/t12-/m1/s1
InChIKeyVFUQQAPMJUJKOQ-GFCCVEGCSA-N
MW299.44 g/mol
LogP3.14
Rot. Bonds6

About 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide

4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 100570121) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
PubChem CID100570121
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)12(5)16-20(17,18)13-7-8-15(19-6)14(9-13)11(3)4/h7-12,16H,1-6H3/t12-/m1/s1
InChIKeyVFUQQAPMJUJKOQ-GFCCVEGCSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133189130
4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 133190837
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60845276
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
4-methoxy-3-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1091004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide (CID 100570121) is 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is VFUQQAPMJUJKOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10(2)12(5)16-20(17,18)13-7-8-15(19-6)14(9-13)11(3)4/h7-12,16H,1-6H3/t12-/m1/s1.
What are the key properties of 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100570121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).