N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide

C24H33ClN2O5S — CID 139784447

IUPACN-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide
SMILESCCCC(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C(C)(C)C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C24H33ClN2O5S/c1-7-8-15(17-13-19(25)22(32-6)14-21(17)31-5)11-23(28)27-20-12-16(33(26,29)30)9-10-18(20)24(2,3)4/h9-10,12-15H,7-8,11H2,1-6H3,(H,27,28)(H2,26,29,30)
InChIKeyULPUKDPCOCNKGI-UHFFFAOYSA-N
MW497.06 g/mol
LogP5.21
Rot. Bonds9

About N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide

N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide (PubChem CID 139784447) has the molecular formula C24H33ClN2O5S and a molecular weight of 497.06 g/mol. Its IUPAC name is N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide
PubChem CID139784447
Molecular FormulaC24H33ClN2O5S
Molecular Weight497.06 g/mol
Exact Mass496.18
IUPAC NameN-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide
SMILESCCCC(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C(C)(C)C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C24H33ClN2O5S/c1-7-8-15(17-13-19(25)22(32-6)14-21(17)31-5)11-23(28)27-20-12-16(33(26,29)30)9-10-18(20)24(2,3)4/h9-10,12-15H,7-8,11H2,1-6H3,(H,27,28)(H2,26,29,30)
InChIKeyULPUKDPCOCNKGI-UHFFFAOYSA-N
XLogP5.21
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.06
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-3-[3-(5-chloro-2,4-dimethoxyphenyl)octanoylamino]benzamide
CID 19348673
4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid
CID 19348654
3-[3-(5-bromo-2,4-dimethoxyphenyl)octanoylamino]-4-tert-butylbenzamide
CID 19348476
N-[2-tert-butyl-5-(sulfamoylmethyl)phenyl]-3-[2-methoxy-4-(2-methylpropylsulfonyl)phenyl]octanamide
CID 139784469
methyl 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methylhexanoyl]amino]benzoate
CID 139784288
5-[1-[2-tert-butyl-5-(methylcarbamoyl)anilino]-1-oxooctan-3-yl]-2,4-dimethoxybenzamide
CID 70284419
N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide
CID 19348478
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
methyl 2-[4-tert-butyl-3-[[3-(2-methoxy-4-propylsulfonylphenyl)-5-methylhexanoyl]amino]phenyl]acetate
CID 139784348
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide?
The IUPAC name of N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide (CID 139784447) is N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide.
What is the SMILES notation for N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide?
The canonical SMILES for N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide is CCCC(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C(C)(C)C)c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide?
The InChIKey is ULPUKDPCOCNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O5S/c1-7-8-15(17-13-19(25)22(32-6)14-21(17)31-5)11-23(28)27-20-12-16(33(26,29)30)9-10-18(20)24(2,3)4/h9-10,12-15H,7-8,11H2,1-6H3,(H,27,28)(H2,26,29,30).
What are the key properties of N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide?
N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide has a molecular weight of 497.06 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-sulfamoylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)hexanamide is sourced from PubChem (CID 139784447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).