5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide

C16H20BrNO3S2 — CID 99959421

IUPAC5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H20BrNO3S2/c1-11(2)10-14(12-4-6-13(21-3)7-5-12)18-23(19,20)16-9-8-15(17)22-16/h4-9,11,14,18H,10H2,1-3H3/t14-/m1/s1
InChIKeyYPBDRHNAPBTGSA-CQSZACIVSA-N
MW418.38 g/mol
LogP4.58
Rot. Bonds7

About 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide

5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide (PubChem CID 99959421) has the molecular formula C16H20BrNO3S2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
PubChem CID99959421
Molecular FormulaC16H20BrNO3S2
Molecular Weight418.38 g/mol
Exact Mass417.01
IUPAC Name5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H20BrNO3S2/c1-11(2)10-14(12-4-6-13(21-3)7-5-12)18-23(19,20)16-9-8-15(17)22-16/h4-9,11,14,18H,10H2,1-3H3/t14-/m1/s1
InChIKeyYPBDRHNAPBTGSA-CQSZACIVSA-N
XLogP4.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 28575587
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide (CID 99959421) is 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide is COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide?
The InChIKey is YPBDRHNAPBTGSA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20BrNO3S2/c1-11(2)10-14(12-4-6-13(21-3)7-5-12)18-23(19,20)16-9-8-15(17)22-16/h4-9,11,14,18H,10H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide?
5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide has a molecular weight of 418.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99959421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).