N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

C21H26N2O4S — CID 53105628

IUPACN-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14(2)20(24)23-13-21(3,4)18-12-17(10-11-19(18)23)28(25,26)22-15-6-8-16(27-5)9-7-15/h6-12,14,22H,13H2,1-5H3
InChIKeyOROMRWZOTFBPEA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.78
Rot. Bonds5

About N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (PubChem CID 53105628) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
PubChem CID53105628
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14(2)20(24)23-13-21(3,4)18-12-17(10-11-19(18)23)28(25,26)22-15-6-8-16(27-5)9-7-15/h6-12,14,22H,13H2,1-5H3
InChIKeyOROMRWZOTFBPEA-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
methyl 4-[[3,3-dimethyl-1-(2-methylpropanoyl)-2H-indol-5-yl]sulfonylamino]benzoate
CID 53105722
N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681
N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105705
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
1-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
CID 53105659
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (CID 53105628) is N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The InChIKey is OROMRWZOTFBPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14(2)20(24)23-13-21(3,4)18-12-17(10-11-19(18)23)28(25,26)22-15-6-8-16(27-5)9-7-15/h6-12,14,22H,13H2,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).