(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide

C15H24N2O3S — CID 124846028

IUPAC(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-11(2)15(18)17-12(3)13-7-9-14(10-8-13)21(16,19)20/h7-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)/t11-,12+/m0/s1
InChIKeyIBGYQECYILIWHT-NWDGAFQWSA-N
MW312.44 g/mol
LogP2.34
Rot. Bonds7

About (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide

(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide (PubChem CID 124846028) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
PubChem CID124846028
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-11(2)15(18)17-12(3)13-7-9-14(10-8-13)21(16,19)20/h7-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)/t11-,12+/m0/s1
InChIKeyIBGYQECYILIWHT-NWDGAFQWSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 134037901
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide?
The IUPAC name of (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide (CID 124846028) is (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide is CCCC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide?
The InChIKey is IBGYQECYILIWHT-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-6-11(2)15(18)17-12(3)13-7-9-14(10-8-13)21(16,19)20/h7-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide?
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide has a molecular weight of 312.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide is sourced from PubChem (CID 124846028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).