N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide

C19H26N2O2S — CID 110641726

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-13-5-8-19(14(2)11-13)24(22,23)20-10-9-17-12-15(3)21(16(17)4)18-6-7-18/h5,8,11-12,18,20H,6-7,9-10H2,1-4H3
InChIKeyJOJIVIZWIAJZED-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110641726) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID110641726
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-13-5-8-19(14(2)11-13)24(22,23)20-10-9-17-12-15(3)21(16(17)4)18-6-7-18/h5,8,11-12,18,20H,6-7,9-10H2,1-4H3
InChIKeyJOJIVIZWIAJZED-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110415999
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110416008
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110415986
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110641803
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110641718
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (CID 110641726) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)c(C)c1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is JOJIVIZWIAJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13-5-8-19(14(2)11-13)24(22,23)20-10-9-17-12-15(3)21(16(17)4)18-6-7-18/h5,8,11-12,18,20H,6-7,9-10H2,1-4H3.
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110641726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).