N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide

C25H23N3O3S2 — CID 147217860

IUPACN-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cnc3c(c2)C(C2=CCN(C(=O)c4cccs4)CC2)=CC3)c1
InChIInChI=1S/C25H23N3O3S2/c1-26-33(30,31)20-5-2-4-18(14-20)19-15-22-21(7-8-23(22)27-16-19)17-9-11-28(12-10-17)25(29)24-6-3-13-32-24/h2-7,9,13-16,26H,8,10-12H2,1H3
InChIKeyCGLYLOLNIVYTDK-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.13
Rot. Bonds5

About N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide

N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide (PubChem CID 147217860) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide
PubChem CID147217860
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cnc3c(c2)C(C2=CCN(C(=O)c4cccs4)CC2)=CC3)c1
InChIInChI=1S/C25H23N3O3S2/c1-26-33(30,31)20-5-2-4-18(14-20)19-15-22-21(7-8-23(22)27-16-19)17-9-11-28(12-10-17)25(29)24-6-3-13-32-24/h2-7,9,13-16,26H,8,10-12H2,1H3
InChIKeyCGLYLOLNIVYTDK-UHFFFAOYSA-N
XLogP4.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 161285199
[4-[5-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 122602820
[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 122602887
N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
CID 75514098
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 3232247
4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 146886016
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281068

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide (CID 147217860) is N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2cnc3c(c2)C(C2=CCN(C(=O)c4cccs4)CC2)=CC3)c1.
What is the InChIKey of N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide?
The InChIKey is CGLYLOLNIVYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-26-33(30,31)20-5-2-4-18(14-20)19-15-22-21(7-8-23(22)27-16-19)17-9-11-28(12-10-17)25(29)24-6-3-13-32-24/h2-7,9,13-16,26H,8,10-12H2,1H3.
What are the key properties of N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide?
N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide has a molecular weight of 477.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[1-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 147217860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).