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

C20H28N2O3S — CID 110416008

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C20H28N2O3S/c1-13-10-19(25-5)20(11-14(13)2)26(23,24)21-9-8-17-12-15(3)22(16(17)4)18-6-7-18/h10-12,18,21H,6-9H2,1-5H3
InChIKeyAJGPGMWQKMJLTQ-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.59
Rot. Bonds7

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

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 110416008) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID110416008
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C20H28N2O3S/c1-13-10-19(25-5)20(11-14(13)2)26(23,24)21-9-8-17-12-15(3)22(16(17)4)18-6-7-18/h10-12,18,21H,6-9H2,1-5H3
InChIKeyAJGPGMWQKMJLTQ-UHFFFAOYSA-N
XLogP3.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110641726
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]propane-1-sulfonamide
CID 110415986
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
2-methoxy-4,5-dimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642099
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110641803
N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90558429
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110601258
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 110416008) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCc1cc(C)n(C2CC2)c1C.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is AJGPGMWQKMJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-13-10-19(25-5)20(11-14(13)2)26(23,24)21-9-8-17-12-15(3)22(16(17)4)18-6-7-18/h10-12,18,21H,6-9H2,1-5H3.
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110416008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).