5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide

C18H22N2O2S2 — CID 113085743

IUPAC5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C18H22N2O2S2/c1-12-9-10-16(23-12)24(21,22)19-11-18(3,4)17-13(2)20-15-8-6-5-7-14(15)17/h5-10,19-20H,11H2,1-4H3
InChIKeyIMXPMJGXHMPXQK-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.10
Rot. Bonds5

About 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide

5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide (PubChem CID 113085743) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
PubChem CID113085743
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C18H22N2O2S2/c1-12-9-10-16(23-12)24(21,22)19-11-18(3,4)17-13(2)20-15-8-6-5-7-14(15)17/h5-10,19-20H,11H2,1-4H3
InChIKeyIMXPMJGXHMPXQK-UHFFFAOYSA-N
XLogP4.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide (CID 113085743) is 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)s1.
What is the InChIKey of 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is IMXPMJGXHMPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-12-9-10-16(23-12)24(21,22)19-11-18(3,4)17-13(2)20-15-8-6-5-7-14(15)17/h5-10,19-20H,11H2,1-4H3.
What are the key properties of 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide?
5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 362.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113085743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).