N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C21H21N5O3S2 — CID 24782785

IUPACN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)cc1
InChIInChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-15-7-5-14(6-8-15)9-11-23-21(27)16-10-12-22-20-18(16)24-19(25-20)17-4-3-13-30-17/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyPQCORBHAPGUMBJ-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.42
Rot. Bonds8

About N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24782785) has the molecular formula C21H21N5O3S2 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24782785
Molecular FormulaC21H21N5O3S2
Molecular Weight455.57 g/mol
Exact Mass455.11
IUPAC NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)cc1
InChIInChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-15-7-5-14(6-8-15)9-11-23-21(27)16-10-12-22-20-18(16)24-19(25-20)17-4-3-13-30-17/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyPQCORBHAPGUMBJ-UHFFFAOYSA-N
XLogP3.42
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24782785) is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)cc1.
What is the InChIKey of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is PQCORBHAPGUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-15-7-5-14(6-8-15)9-11-23-21(27)16-10-12-22-20-18(16)24-19(25-20)17-4-3-13-30-17/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24782785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).