(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C24H28N8O4S — CID 134535262

IUPAC(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)Cc3ncc(C)cn3)n2[C@@H](c2conc2C)C2CC2)n1
InChIInChI=1S/C24H28N8O4S/c1-14-11-25-20(26-12-14)10-15(2)37(33,34)31-24-29-28-23(19-6-5-7-21(27-19)35-4)32(24)22(17-8-9-17)18-13-36-30-16(18)3/h5-7,11-13,15,17,22H,8-10H2,1-4H3,(H,29,31)/t15-,22+/m0/s1
InChIKeyDMAOUWSTJXIWAZ-OYHNWAKOSA-N
MW524.61 g/mol
LogP3.12
Rot. Bonds10

About (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 134535262) has the molecular formula C24H28N8O4S and a molecular weight of 524.61 g/mol. Its IUPAC name is (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
PubChem CID134535262
Molecular FormulaC24H28N8O4S
Molecular Weight524.61 g/mol
Exact Mass524.20
IUPAC Name(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)Cc3ncc(C)cn3)n2[C@@H](c2conc2C)C2CC2)n1
InChIInChI=1S/C24H28N8O4S/c1-14-11-25-20(26-12-14)10-15(2)37(33,34)31-24-29-28-23(19-6-5-7-21(27-19)35-4)32(24)22(17-8-9-17)18-13-36-30-16(18)3/h5-7,11-13,15,17,22H,8-10H2,1-4H3,(H,29,31)/t15-,22+/m0/s1
InChIKeyDMAOUWSTJXIWAZ-OYHNWAKOSA-N
XLogP3.12
TPSA150.81 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide with MolForge

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Related Compounds

(1S,2S)-N-[4-[(S)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 134523558
(2R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;methanol;molecular hydrogen
CID 145191152
4-[(R)-cyclopropyl-[3-(6-methyl-2-pyridinyl)-5-[[(1S,2S)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropan-2-yl]sulfonylmethyl]-1,2,4-triazol-4-yl]methyl]-3-methyl-1,2-oxazole
CID 146931022
(2S,3R)-N-[4-(1,3-dimethoxypropan-2-yl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134522442
N-[4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 140771383
(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 134522868
N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 153436277
(1S,2S)-1-(5-chloropyrimidin-2-yl)-N-[5-(6-methoxy-2-pyridinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]-1-propan-2-yloxypropane-2-sulfonamide
CID 134523011
(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 134523386
N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 153436290
(1S,2R)-1-cyclopropyl-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-hydroxypropane-2-sulfonamide
CID 122701785
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-[(2S)-oxan-2-yl]ethyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523025

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 134535262) is (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)Cc3ncc(C)cn3)n2[C@@H](c2conc2C)C2CC2)n1.
What is the InChIKey of (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is DMAOUWSTJXIWAZ-OYHNWAKOSA-N. The full InChI is InChI=1S/C24H28N8O4S/c1-14-11-25-20(26-12-14)10-15(2)37(33,34)31-24-29-28-23(19-6-5-7-21(27-19)35-4)32(24)22(17-8-9-17)18-13-36-30-16(18)3/h5-7,11-13,15,17,22H,8-10H2,1-4H3,(H,29,31)/t15-,22+/m0/s1.
What are the key properties of (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
(2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 524.61 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(R)-cyclopropyl-(3-methyl-1,2-oxazol-4-yl)methyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 134535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).