Skip to content

(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide

C24H28FN7O5S2 — CID 134542656

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide
SMILESCOCC[C@H]([C@H](C)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2nc(C)cs2)n1-c1c(OC)cccc1OC
InChIInChI=1S/C24H28FN7O5S2/c1-14-13-38-23(28-14)22-29-30-24(32(22)20-17(36-4)7-6-8-18(20)37-5)31-39(33,34)19(9-10-35-3)15(2)21-26-11-16(25)12-27-21/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,30,31)/t15-,19+/m0/s1
InChIKeyWOVUZJAOIKDDTI-HNAYVOBHSA-N
MW577.66 g/mol
LogP3.60
Rot. Bonds12

About (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide

(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide (PubChem CID 134542656) has the molecular formula C24H28FN7O5S2 and a molecular weight of 577.66 g/mol. Its IUPAC name is (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide
PubChem CID134542656
Molecular FormulaC24H28FN7O5S2
Molecular Weight577.66 g/mol
Exact Mass577.16
IUPAC Name(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide
SMILESCOCC[C@H]([C@H](C)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2nc(C)cs2)n1-c1c(OC)cccc1OC
InChIInChI=1S/C24H28FN7O5S2/c1-14-13-38-23(28-14)22-29-30-24(32(22)20-17(36-4)7-6-8-18(20)37-5)31-39(33,34)19(9-10-35-3)15(2)21-26-11-16(25)12-27-21/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,30,31)/t15-,19+/m0/s1
InChIKeyWOVUZJAOIKDDTI-HNAYVOBHSA-N
XLogP3.60
TPSA143.24 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.66
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide?
The IUPAC name of (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide (CID 134542656) is (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide.
What is the SMILES notation for (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide?
The canonical SMILES for (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide is COCC[C@H]([C@H](C)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2nc(C)cs2)n1-c1c(OC)cccc1OC.
What is the InChIKey of (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide?
The InChIKey is WOVUZJAOIKDDTI-HNAYVOBHSA-N. The full InChI is InChI=1S/C24H28FN7O5S2/c1-14-13-38-23(28-14)22-29-30-24(32(22)20-17(36-4)7-6-8-18(20)37-5)31-39(33,34)19(9-10-35-3)15(2)21-26-11-16(25)12-27-21/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,30,31)/t15-,19+/m0/s1.
What are the key properties of (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide?
(3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide has a molecular weight of 577.66 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-sulfonamide is sourced from PubChem (CID 134542656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.