N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide

C22H26N2O3S — CID 113085870

IUPACN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1[nH]c2ccccc2c1C1(CNS(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H26N2O3S/c1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-14-22(12-13-22)21-16(3)24-20-7-5-4-6-19(20)21/h4-11,15,23-24H,12-14H2,1-3H3
InChIKeySMJHTQLLSAIFRL-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.27
Rot. Bonds7

About N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide

N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113085870) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113085870
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1[nH]c2ccccc2c1C1(CNS(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H26N2O3S/c1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-14-22(12-13-22)21-16(3)24-20-7-5-4-6-19(20)21/h4-11,15,23-24H,12-14H2,1-3H3
InChIKeySMJHTQLLSAIFRL-UHFFFAOYSA-N
XLogP4.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085851
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide (CID 113085870) is N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide is Cc1[nH]c2ccccc2c1C1(CNS(=O)(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is SMJHTQLLSAIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-14-22(12-13-22)21-16(3)24-20-7-5-4-6-19(20)21/h4-11,15,23-24H,12-14H2,1-3H3.
What are the key properties of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113085870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).