N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide

C16H18N2O3S2 — CID 110371546

IUPACN-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)s1)cn2C
InChIInChI=1S/C16H18N2O3S2/c1-11-4-7-16(22-11)23(19,20)17-9-12-10-18(2)15-6-5-13(21-3)8-14(12)15/h4-8,10,17H,9H2,1-3H3
InChIKeyFEQBYEOMVBRXQD-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.04
Rot. Bonds5

About N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide

N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110371546) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID110371546
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)s1)cn2C
InChIInChI=1S/C16H18N2O3S2/c1-11-4-7-16(22-11)23(19,20)17-9-12-10-18(2)15-6-5-13(21-3)8-14(12)15/h4-8,10,17H,9H2,1-3H3
InChIKeyFEQBYEOMVBRXQD-UHFFFAOYSA-N
XLogP3.04
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
CID 110371617
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113096502
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide (CID 110371546) is N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide is COc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)s1)cn2C.
What is the InChIKey of N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is FEQBYEOMVBRXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-11-4-7-16(22-11)23(19,20)17-9-12-10-18(2)15-6-5-13(21-3)8-14(12)15/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110371546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).