N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide

C26H27N5O5S2 — CID 58746467

IUPACN-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccncc3[nH]2)cc(C)c1C
InChIInChI=1S/C26H27N5O5S2/c1-15-10-20(11-16(2)17(15)3)37(33,34)30-22(26-28-21-8-9-27-14-23(21)29-26)12-18-4-6-19(7-5-18)24-13-25(32)31-38(24,35)36/h4-11,14,22,24,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t22-,24?/m0/s1
InChIKeySWNBNGRTJREYQP-OWJIYDKWSA-N
MW553.67 g/mol
LogP3.04
Rot. Bonds7

About N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide

N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide (PubChem CID 58746467) has the molecular formula C26H27N5O5S2 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide
PubChem CID58746467
Molecular FormulaC26H27N5O5S2
Molecular Weight553.67 g/mol
Exact Mass553.15
IUPAC NameN-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccncc3[nH]2)cc(C)c1C
InChIInChI=1S/C26H27N5O5S2/c1-15-10-20(11-16(2)17(15)3)37(33,34)30-22(26-28-21-8-9-27-14-23(21)29-26)12-18-4-6-19(7-5-18)24-13-25(32)31-38(24,35)36/h4-11,14,22,24,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t22-,24?/m0/s1
InChIKeySWNBNGRTJREYQP-OWJIYDKWSA-N
XLogP3.04
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.67
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide (CID 58746467) is N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccncc3[nH]2)cc(C)c1C.
What is the InChIKey of N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide?
The InChIKey is SWNBNGRTJREYQP-OWJIYDKWSA-N. The full InChI is InChI=1S/C26H27N5O5S2/c1-15-10-20(11-16(2)17(15)3)37(33,34)30-22(26-28-21-8-9-27-14-23(21)29-26)12-18-4-6-19(7-5-18)24-13-25(32)31-38(24,35)36/h4-11,14,22,24,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t22-,24?/m0/s1.
What are the key properties of N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide?
N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide has a molecular weight of 553.67 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 58746467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).