N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide

C18H25N5O3S2 — CID 23433821

IUPACN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C18H25N5O3S2/c1-3-26-12-15-22-17-14(11-13(2)21-18(17)19)23(15)9-5-4-8-20-28(24,25)16-7-6-10-27-16/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H2,19,21)
InChIKeyRIKRVBHPFFNBFK-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.68
Rot. Bonds10

About N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide

N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide (PubChem CID 23433821) has the molecular formula C18H25N5O3S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide
PubChem CID23433821
Molecular FormulaC18H25N5O3S2
Molecular Weight423.56 g/mol
Exact Mass423.14
IUPAC NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C18H25N5O3S2/c1-3-26-12-15-22-17-14(11-13(2)21-18(17)19)23(15)9-5-4-8-20-28(24,25)16-7-6-10-27-16/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H2,19,21)
InChIKeyRIKRVBHPFFNBFK-UHFFFAOYSA-N
XLogP2.68
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide (CID 23433821) is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide is CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide?
The InChIKey is RIKRVBHPFFNBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S2/c1-3-26-12-15-22-17-14(11-13(2)21-18(17)19)23(15)9-5-4-8-20-28(24,25)16-7-6-10-27-16/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H2,19,21).
What are the key properties of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide?
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide has a molecular weight of 423.56 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23433821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).